SCHEMBL7050554

SCHEMBL7050554

O=C(O)c1c2c(-c3ccccc3)c3ccccc3c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 8/20 0.42
ATM Q13315 1/20 0.40
KDM4E B2RXH2 6/20 0.40
GLA P06280 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 3/20 0.39
MAPT P10636 1/20 0.39
PIM1 P11309 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 2/20 0.37
DHODH Q02127 2/20 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
SCHEMBL7050556 0.87 LMNA (0.44) LMNAALDH1A1ATMKDM4EGLA
SCHEMBL11189652 0.79 PDE10A (0.39) LMNAALDH1A1KDM4EGAATSHR
SCHEMBL4882804 0.74 PREP (0.50) LMNAALDH1A1KDM4EGAATSHR
SCHEMBL29262209 0.74 LMNA (0.55) LMNAALDH1A1KDM4EGLAHSD17B10
SCHEMBL21879686 0.71 LMNA (0.51) LMNAALDH1A1KDM4EGLAHSD17B10
SCHEMBL27724475 0.71 LMNA (0.56) LMNAALDH1A1KDM4EGLAHSD17B10
SCHEMBL3361896 0.69 ALDH1A1 (0.61) LMNAALDH1A1ATMKDM4EGAA
SCHEMBL3446771 0.69 LMNA (0.52) LMNAALDH1A1ATMKDM4EGLA
SCHEMBL2846662 0.69 LMNA (0.52) LMNAALDH1A1ATMKDM4EGLA
SCHEMBL338936 0.68 DHODH (0.49) LMNAALDH1A1KDM4EGLAHSD17B10

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-6825226-B2 ANTICANCER AGENTS; UROGENITAL DISORDERS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-30 US disclosed
US-6462064-B1 SUCH AS 6-(3-(1-ADAMANTYL)-4-METHOXYPHENYL)-2-NAPHTHOIC ACID, 2-(3-(1-ADAMANTYL)-4-METHOXYPHENYL)-5-BENZIMIDAZOLE CARBOXY-LIC ACID, AND 6-(3-(1-ADAMANTYL)-4,5-METHYLENEDIOXYPHENYL)-2-NAPHTHOIC ACID GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2002-10-08 US disclosed
EP-0920312-A4 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2000-11-02 EP disclosed
US-6127415-A ADAMANTYL DERIVATIVE CONTAINING-RETINOID RELATED COMPOUNDS AS ANTICARCINOGENIC AGENTS; SKIN DISORDERS;COSMETICS; AGING RESISTANCE; ALOPEIA GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-10-03 US disclosed
EP-0920312-A1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS Galderma Research & Development (FR) 1999-06-09 EP disclosed
WO-1998001132-A1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-15 WO disclosed