SCHEMBL6428605

SCHEMBL6428605

C/C=C\c1cccc(C(=O)O)c1-c1ccc2c(c1)C(C)(C)C=CC2(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.34
RARA P10276 2/20 0.34
RARG P13631 2/20 0.34
ERN1 O75460 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXRA P19793 1/20 0.31
POLB P06746 1/20 0.30
BCL2L1 Q07817 1/20 0.30
BAD Q92934 1/20 0.30
HNF4A P41235 1/20 0.30

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
SCHEMBL6428471 0.81 RARB (0.38) RARBRARARARGERN1RXRA
SCHEMBL8522832 0.74 RARB (0.52) RARBRARARARGKDM4EALDH1A1
SCHEMBL891695 0.67 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL728576 0.67 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL357341 0.67 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11130591 0.66 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10HNF4A
SCHEMBL11130587 0.66 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10HNF4A
SCHEMBL27104316 0.66 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4556202 0.65 G6PD (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7160568 0.65 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050142165-A1 Implant device with a retinoid for improved biocompatibility OLEJNIK OREST (US) 2005-06-30 US disclosed
US-6743437-B2 Implant device with a retinoid for improved biocompatibility ALLERGAN, INC. 2004-06-01 US disclosed