SCHEMBL9869229

SCHEMBL9869229

CC1C(C)(C)c2ccc(C3(C(=O)C4(c5ccc6c(c5)C(C)(C)C(C)C6(C)C)CC4)CC3)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.38
RXRB P28702 6/20 0.34
RXRG P48443 5/20 0.34
RARB P10826 3/20 0.34
RARA P10276 2/20 0.34
RARG P13631 2/20 0.34
PPARG P37231 1/20 0.34
CYP26B1 Q9NR63 6/20 0.34
CYP26A1 O43174 5/20 0.34
CYP3A4 P08684 2/20 0.32
APP P05067 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL11167948 0.71 OPRM1 (0.43) RXRA
SCHEMBL4407340 0.69 RXRA (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL9520091 0.68 RXRA (0.43) RXRACYP2D6
SCHEMBL10842211 0.66 RXRA (0.38) RXRARXRBAKR1C3AKR1C2
SCHEMBL10842199 0.66 GAA (0.47) RXRARXRBRXRGRARBRARA
SCHEMBL2321735 0.65 HSD11B1 (0.59) LMNA
SCHEMBL8522801 0.65 RXRA (0.60) RXRARXRBRXRGRARBRARA
SCHEMBL10335841 0.64 ADRA2A (0.35) RXRALMNA
SCHEMBL9587601 0.63 CYP26A1 (0.38) RXRARARBRARARARGCYP26B1
SCHEMBL1335906 0.63 ESR2 (0.48) CYP3A4APPCYP2D6CYP2C9CYP2C19

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-5072042-A Skin disorders, anticarcinogenic-antitumor agent BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed