SCHEMBL9769978

SCHEMBL9769978

CCOC(=O)C(C)n1c(C)cc2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HK1 P19367 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ELANE P08246 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL9689302 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10SIGMAR1
SCHEMBL20037197 0.82 MEN1 (0.45) TSHRALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL5107552 0.77 ALDH1A1 (0.41) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL27645781 0.77 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10SIGMAR1
SCHEMBL10284105 0.76 HTR2C (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9691149 0.76 PGR (0.46) ALDH1A1KDM4EHPGDHSD17B10SIGMAR1
SCHEMBL1598783 0.74 ALDH1A1 (0.56) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11489463 0.72 TSHR (0.48) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9689228 0.70 PLK1 (0.44) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL21684702 0.70 ALDH1A1 (0.48) TSHRALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013732-A Analgesics STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-4978664-A Analgesic, anti-rheumatic, and anti-inflammatory agent STERLING DRUG INC. (US) 1990-12-18 US disclosed
US-4885295-A ANALGESICS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES STERLING DRUG INC. (US) 1989-12-05 US disclosed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 US disclosed
US-4634776-A ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY STERLING DRUG, INC. (US) 1987-01-06 US disclosed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 US disclosed