SCHEMBL8956337

SCHEMBL8956337

CC(C)(C)c1cc(O)ccc1OC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 4/20 0.48
ALOX15 P16050 2/20 0.48
NR1I2 O75469 1/20 0.48
CYP2C9 P11712 1/20 0.48
MIF P14174 1/20 0.48
TYR P14679 1/20 0.48
HTT P42858 1/20 0.48
NFE2L2 Q16236 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.42
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
NAMPT P43490 1/20 0.38
CYP3A4 P08684 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 3/20 0.37

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
SCHEMBL3864856 0.84 ALDH1A1 (0.50) ALDH1A1LMNAALOX15NR1I2CYP2C9
SCHEMBL75568 0.83 APEX1 (0.49) ALDH1A1ALOX15HSD17B10GAAPTGDR2
SCHEMBL6773355 0.83 ELANE (0.49) ALDH1A1LMNAALOX15NR1I2CYP2C9
SCHEMBL15422590 0.83 NR1H4 (0.42) ALDH1A1LMNAALOX15GAAPTGDR2
SCHEMBL28531330 0.81 ALDH1A1 (0.47) ALDH1A1LMNAALOX15NR1I2CYP2C9
SCHEMBL18940924 0.81 ALDH1A1 (0.47) ALDH1A1LMNAALOX15NR1I2CYP2C9
SCHEMBL29185985 0.81 KDM4E (0.55) ALDH1A1LMNAHTTGAAPTGDR2
SCHEMBL29021762 0.81 RBP4 (0.47) ALDH1A1LMNAGAAPTGDR2RARA
SCHEMBL29556483 0.80 ALDH1A1 (0.46) ALDH1A1LMNAALOX15NR1I2CYP2C9
SCHEMBL11807412 0.80 ALDH1A1 (0.46) ALDH1A1LMNAALOX15NR1I2CYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060018-A N, N-diaryl urea derivative and application thereof 杭州百新生物医药科技有限公司 2024-12-03 CN disclosed
CN-118613288-A Immunoconjugates comprising kallikrein-related peptidase 2 antigen binding domains and uses thereof 詹森生物科技公司 2024-09-06 CN disclosed
CN-118302204-A Macrocyclic compounds and diagnostic uses thereof 詹森生物科技公司 2024-07-05 CN disclosed
EP-0374513-B1 Novel bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID CO (US) 1996-01-10 EP disclosed
US-5231091-A Antihistamines, anaphylactic, respiratory system disorders, cardiovascular disorders ans septic shock AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5147864-A Bronchodilator agent, antianaphylactic agent, antishock agent, cardiotonic agent and anticarcinogenic agent AMERICAN CYANAMID COMPANY (US) 1992-09-15 US disclosed
US-4983592-A Bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID CO. (US) 1991-01-08 US disclosed
EP-0374513-A2 Novel bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1990-06-27 EP disclosed