SCHEMBL9866893

SCHEMBL9866893

CC1(C)CCC(C)(C)c2cc3[nH]c(-c4ccc(C(=O)O)cc4)nc3cc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
RARB P10826 8/20 0.55
RARG P13631 8/20 0.55
RARA P10276 6/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
NR4A2 P43354 1/20 0.53
CHEK2 O96017 6/20 0.53
RXRA P19793 2/20 0.50
MPL P40238 1/20 0.50
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49

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
SCHEMBL10357617 0.87 RHEB (0.65) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL9067619 0.84 RARB (0.60) RARBRARGRARAKDM4EALDH1A1
SCHEMBL8458879 0.84 RARB (0.60) MMP2MMP9MMP8MMP13RARB
SCHEMBL9866153 0.83 NPBWR1 (0.51) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL9379926 0.82 RARB (0.52) MMP2MMP9MMP8MMP13RARB
SCHEMBL9067583 0.77 RARB (0.64) RARBRARGRARACHEK2RXRA
SCHEMBL7602620 0.77 KDM4E (0.70) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL11599478 0.77 KDM4E (0.70) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL20982511 0.77 MMP2 (0.78) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL5219768 0.77 NR4A2 (0.83) MMP2MMP9MMP8MMP13KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292348-B1 POLYCYCLIC HETEROCYCLIC DERIVATIVES, PROCES FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND VETERINARY MEDICINES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA Groupement d'Intérêt Economique dit: (FR) 1990-09-19 EP claimed
US-RE33533-E Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1991-02-05 US disclosed
US-4874747-A DERMATOLOGY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1989-10-17 US disclosed