SCHEMBL10383307

SCHEMBL10383307

CCCCCCCCCOc1ccccc1/C=C/C(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.65
▸ LMNA P02545 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ CHRM2 P08172 1/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ NFE2L2 Q16236 2/20 0.51
▸ TFEB P19484 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ AR P10275 1/20 0.48
▸ ATM Q13315 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL10383309 1.00 KDM4E (0.65) KDM4ELMNAMAPTKMT2ACYP3A4
SCHEMBL9402733 0.88 PTGER1 (0.59) KDM4ELMNAMAPTKMT2ACYP3A4
SCHEMBL242465 0.88 PTGER1 (0.59) KDM4ELMNAMAPTKMT2ACYP3A4
SCHEMBL9717006 0.88 PTGER1 (0.59) KDM4ELMNAMAPTKMT2ACYP3A4
SCHEMBL4331860 0.88 PTGER1 (0.59) KDM4ELMNAMAPTKMT2ACYP3A4
SCHEMBL9716995 0.88 PTGER1 (0.59) KDM4ELMNAMAPTKMT2ACYP3A4
SCHEMBL4331862 0.88 PTGER1 (0.59) KDM4ELMNAMAPTKMT2ACYP3A4
SCHEMBL8092292 0.88 PTGER1 (0.59) KDM4ELMNAMAPTKMT2ACYP3A4
SCHEMBL9716933 0.88 PTGER1 (0.59) KDM4ELMNAMAPTKMT2ACYP3A4
SCHEMBL7096424 0.88 PTGER1 (0.59) KDM4ELMNAMAPTKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4894480-A Phenyl substituted-2,4,6,8-nonatetraenoic acid HOFFMANN-LA ROCHE INC. (US) 1990-01-16 — — US disclosed
US-4883613-A TREATMENT OF RHEUMATOID ARTHRITIS, IMMUNOSUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1989-11-28 — — US disclosed
US-4883614-A TREATMENT OF RHEUMATOID ARTHRITIS, IMMUNOSUPPRESSANTS HOFFMAN-LA ROCHE INC. (US) 1989-11-28 — — US disclosed
US-4780251-A ANTIRHEUMATIC AGENTS, IMMUNOSUPPRESSANTS HOFFMAN-LA ROCHE INC. (US) 1988-10-25 — — US disclosed
EP-0169571-B1 PHENYLNONATETRAENIC-ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-03-09 — — EP disclosed
US-4648996-A ANTIRHEUMATIC AGENTS, IMMUNOSUPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1987-03-10 — — US disclosed
EP-0169571-A1 Phenylnonatetraenic-acid derivatives, their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-01-29 — — EP disclosed
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