SCHEMBL1211

SCHEMBL1211

O=[C]OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
AKR1C3 P42330 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.52
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOB P27338 1/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6141206 0.86 IDO1 (0.54) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL88304 0.81 TSHR (0.55) IDO1AKR1C3LOXL2TSHRCYP2C19
SCHEMBL7005132 0.81 CYP19A1 (0.45) IDO1AKR1C3LOXL2TSHRALDH1A1
SCHEMBL6141025 0.80 IDO1 (0.56) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL37463 0.79 IDO1 (0.70) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL8062311 0.79 IDO1 (0.70) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL96363 0.79 TSHR (0.57) TSHRRAB9AMAPTMAOBCYP2C19
SCHEMBL5546765 0.79 TSHR (0.51) IDO1LOXL2TSHR
SCHEMBL6140815 0.78 IDO1 (0.58) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL5535044 0.78 TSHR (0.50) IDO1LOXL2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 17324 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209009-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME TARSIER PHARMA LTD. (IL) 2024-06-27 US claimed
WO-2024081372-A1 PROCESSES FOR THE PREPARATION OF THE AGENT-LINKER CONJUGATE CL2A-SN-38 AND THE IMMUNOCONJUGATES SACITUZUMAB GOVITECAN AND LABETUZUMAB GOVETICAN GILEAD SCIENCES, INC. (US) 2024-04-18 WO claimed
EP-4326738-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME Tarsier Pharma Ltd. (IL) 2024-02-28 EP claimed
CN-117500817-A Peptides comprising phosphorylcholine conjugates and methods of synthesizing the same 塔西亚制药公司 2024-02-02 CN claimed
US-20230390386-A1 REPLICATION-DEFECTIVE VACCINES AND USES THEREOF UNIV RUTGERS (US) 2023-12-07 US claimed
EP-4282973-A2 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-11-29 EP claimed
EP-4236996-A1 REPLICATION-DEFECTIVE VACCINES AND USES THEREOF Rutgers, the State University of New Jersey (US) 2023-09-06 EP claimed
WO-2023160652-A1 SUBSTITUTED FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF 苏州亚宝药物研发有限公司 2023-08-31 WO claimed
CN-116462731-A Cyclovirobuxine D diastereoisomer, preparation method and application 中国药科大学 2023-07-21 CN claimed
CN-116396296-A Preparation method of ertapenem 武汉瑞晟药业有限公司 2023-07-07 CN claimed
US-4012345-A POLYPEPTIDES WHICH INHIBIT SECRETION OF GROWTH HORMONE SOMATOTROPIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US claimed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3997517-A PEPTIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-14 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3991041-A GROWTH HORMONE RELEASE INHIBITOR AMERICAN HOME PRODUCTS CORPORATION (US) 1976-11-09 US claimed
US-3984417-A Method of producing active amino acid esters AJINOMOTO CO., INC. (JA) 1976-10-05 US claimed
US-3978063-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-31 US claimed
US-3951951-A Azetidinones BEECHAM GROUP LIMITED (EN) 1976-04-20 US claimed
US-3933783-A Formation of peptide bonds in the presence of isonitriles AJINOMOTO CO., INC. (JA) 1976-01-20 US claimed