SCHEMBL8434584

SCHEMBL8434584

CC(=Cc1ccccc1C(=O)O)c1ccc2c(c1)C(C)(C)CC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 17/20 0.55
RARB P10826 15/20 0.55
RARA P10276 14/20 0.55
RXRA P19793 13/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
CYP26A1 O43174 1/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55

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
SCHEMBL8198622 0.93 RARG (0.65) RARGRARBRARARXRAKDM4E
SCHEMBL32671443 0.93 RARG (0.65) RARGRARBRARARXRAKDM4E
SCHEMBL6257667 0.93 RARG (0.65) RARGRARBRARARXRAKDM4E
SCHEMBL8776527 0.80 RARG (0.64) RARGRARBRARARXRAKDM4E
SCHEMBL8776530 0.80 RARG (0.64) RARGRARBRARARXRAKDM4E
SCHEMBL5304297 0.79 RARB (0.85) RARGRARBRARARXRAKDM4E
SCHEMBL5304306 0.79 RARB (0.85) RARGRARBRARARXRAKDM4E
SCHEMBL5304300 0.79 RARB (0.85) RARGRARBRARARXRAKDM4E
SCHEMBL9116317 0.79 RARG (0.54) RARGRARBRARARXRAKDM4E
SCHEMBL8522463 0.79 CDC25B (0.57) RARGRARBRARARXRACYP26A1

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
US-RE36068-E TREATING SKIN WITH RETINOIC ACID DERIVATIVES KLIGMAN ALBERT M (US) 1999-01-26 US claimed
US-RE36068-E TREATING SKIN WITH RETINOIC ACID DERIVATIVES KLIGMAN ALBERT M (US) 1999-01-26 US disclosed
US-5851538-A Retinoid formulations in porous microspheres for reduced irritation and enhanced stability ADVANCED POLYMER SYSTEMS, INC. (US) 1998-12-22 US disclosed