Sugi Predict

Sugi Predict / Compounds / SCHEMBL3840548

SCHEMBL3840548

SCHEMBL3840548

CC(C(=O)O)c1cccc(-c2ccccc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ MMP16 P51512 1/20 0.47
▸ PTGS1 P23219 5/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ FABP2 P12104 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ AKR1C4 P17516 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45

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
SCHEMBL2393839 0.84 PTGS2 (0.56) PTGS2MMP1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL6981180 0.83 PTGS1 (0.43) PTGS2PTGS1KMT2AMEN1LMNA
Biphenyl SCHEMBL7876282 0.82 PTGS2 (0.58) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL11766705 0.81 PPARG (0.49) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL16203402 0.80 CA1 (0.46) PTGS1TSHRHTR2CLMNACYP1A2
SCHEMBL10781115 0.80 PTGS2 (0.53) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL8479916 0.79 PTGS2 (0.58) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL1000051 0.79 CXCL8 (0.44) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL29183257 0.77 CXCL8 (0.40) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL6832899 0.76 G6PD (0.52) PTGS2MMP1MMP2MMP9MMP8

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

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110128284-B Preparation method of 2-amino-3-biphenylyl propionic acid 南京一心和医药科技有限公司 2021-12-14 — — CN claimed
CN-110128284-A A kind of preparation method of 2- amino -3- biphenyl propionic acid 南京一心和医药科技有限公司 2019-08-16 — — CN claimed
CN-110128284-B Preparation method of 2-amino-3-biphenylyl propionic acid 南京一心和医药科技有限公司 2021-12-14 — — CN disclosed
CN-110128284-B Preparation method of 2-amino-3-biphenylyl propionic acid 南京一心和医药科技有限公司 2021-12-14 — — CN disclosed
CN-110128284-B Preparation method of 2-amino-3-biphenylyl propionic acid 南京一心和医药科技有限公司 2021-12-14 — — CN disclosed
CN-106467471-B Preparation method and application of high-optical-purity biphenylalanine and derivatives thereof 上海翰森生物医药科技有限公司 2021-02-02 — — CN disclosed
CN-110128284-A A kind of preparation method of 2- amino -3- biphenyl propionic acid 南京一心和医药科技有限公司 2019-08-16 — — CN disclosed
CN-110128284-A A kind of preparation method of 2- amino -3- biphenyl propionic acid 南京一心和医药科技有限公司 2019-08-16 — — CN disclosed
CN-110128284-A A kind of preparation method of 2- amino -3- biphenyl propionic acid 南京一心和医药科技有限公司 2019-08-16 — — CN disclosed
EP-1729823-B1 CONJUGATES OF ANGIOTENSIN PEPTIDIC ANALOGUES AND CHELATING AGENTS FOR DIAGNOSIS AND THERAPY GE HEALTHCARE AS (NO) 2009-11-04 — — EP disclosed
EP-1729823-A2 CONJUGATES OF ANGIOTENSIN PEPTIDIC ANALOGUES AND CHELATING AGENTS FOR DIAGNOSIS AND THERAPY GE Healthcare AS (NO) 2006-12-13 — — EP disclosed
EP-1699495-A2 CONJUGATES OF ANGIOTENSIN II AND AN IMAGING MOIETY Amersham Health AS (NO) 2006-09-13 — — EP disclosed
WO-2005084715-A2 CONJUGATES OF ANGIOTENSIN PEPTIDIC ANALOGUES AND CHELATING AGENTS FOR DIAGNOSIS AND THERAPY GE HEALTHCARE AS (NO) 2005-09-15 — — WO disclosed
WO-2005044313-A2 CONJUGATES OF ANGIOTENSIN II AND AN IMAGING MOIETY AMERSHAM HEALTH AS (NO) 2005-05-19 — — WO disclosed