SCHEMBL8664825

SCHEMBL8664825

CC1(C)CCC(O)(c2ncc[nH]2)c2cc([C]=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.39
RARG P13631 8/20 0.39
CYP26A1 O43174 6/20 0.39
RARA P10276 6/20 0.39
CYP3A4 P08684 6/20 0.39
CRABP2 P29373 1/20 0.39
CYP26B1 Q9NR63 2/20 0.32
RXRA P19793 2/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3838094 0.74 RARB (0.57) RARBRARGCYP26A1RARACYP3A4
SCHEMBL768819 0.63 MAP3K14 (0.40) CYP3A4TP53TSHRALDH1A1
SCHEMBL14969273 0.63 TP53 (0.33) TP53TSHR
SCHEMBL9531758 0.62 TSHR (0.40) CYP3A4TP53TSHRALDH1A1
SCHEMBL8522445 0.60 RARB (0.59) RARBRARGCYP26A1RARACYP3A4
SCHEMBL8457553 0.60 RARB (0.65) RARBRARGCYP26A1RARACYP3A4
SCHEMBL768915 0.60 TSHR (0.40) CYP3A4TP53TSHRALDH1A1
SCHEMBL779741 0.60 ADRA1A (0.39) CYP3A4TP53TSHRALDH1A1
SCHEMBL1494683 0.59
SCHEMBL8361240 0.59 RARB (0.57) RARBRARGCYP26A1RARACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849923-A Heterocyclic-substituted naphthalenyl retinobenzoic acid derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-15 US disclosed