SCHEMBL8669998

SCHEMBL8669998

CC1(C)CCC(O)(c2cncnc2)c2cc(C(=O)O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.54
RXRA P19793 12/20 0.54
RARG P13631 11/20 0.54
RARA P10276 10/20 0.54
RXRB P28702 7/20 0.54
RXRG P48443 4/20 0.54
CYP26A1 O43174 3/20 0.53
CYP26B1 Q9NR63 2/20 0.53
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8771841 0.84 RARB (0.58) RARBRXRARARGRARARXRB
SCHEMBL8981647 0.79 RXRA (0.65) RARBRXRARARGRARARXRB
SCHEMBL29827631 0.79 RARB (0.81) RARBRXRARARGRARARXRB
SCHEMBL846110 0.79 RARB (0.81) RARBRXRARARGRARARXRB
Hydrochloric Acid SCHEMBL9120757 0.77 RARB (0.78) RARBRXRARARGRARARXRB
SCHEMBL8771781 0.76 RARB (0.67) RARBRXRARARGRARARXRB
Hydrazine SCHEMBL9430381 0.76 RARB (0.76) RARBRXRARARGRARARXRB
SCHEMBL8771815 0.75 RARB (0.55) RARBRXRARARGRARARXRB
SCHEMBL8981643 0.75 RARA (0.71) RARBRXRARARGRARARXRB
SCHEMBL8771681 0.74 RARB (0.53) RARBRXRARARGRARARXRB

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-5849923-A Heterocyclic-substituted naphthalenyl retinobenzoic acid derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-15 US disclosed
EP-0736530-A2 Retinoid-like heterocycles Bristol-Myers Squibb Company (US) 1996-10-09 EP disclosed
US-5559248-A FOR PREVENTION AND TREATMENT OF SKIN DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1996-09-24 US disclosed