SCHEMBL9075009

SCHEMBL9075009

CC1(C)CCCc2ccc(CCO)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.38
CYP26A1 O43174 2/20 0.38
CYP26B1 Q9NR63 2/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
PDK2 Q15119 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRKCD Q05655 2/20 0.34

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
SCHEMBL11949124 0.90 KDM4E (0.40) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL8733215 0.89 ESR1 (0.39) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL2091025 0.87 RXRA (0.41) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL8981801 0.81 RXRA (0.39) RXRARXRBRXRGMAPTCYP26A1
SCHEMBL13318246 0.80 KDM1A (0.39) RXRARXRBRXRGCYP3A4TSHR
SCHEMBL4365965 0.80 CYP26B1 (0.55) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL7207050 0.79 SKP2 (0.42) RXRAALDH1A1
SCHEMBL10339561 0.78 ESR1 (0.41) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL6017346 0.77 RXRA (0.39) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL2093706 0.77 PDK2 (0.38) RXRARXRBRXRGPDK2CYP3A4

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
EP-0699178-A1 TETRAHYDRONAPHTHYL AND CYCLOPROPYL SUBSTITUTED 1,3-BUTADIENES HAVING RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1996-03-06 EP disclosed