SCHEMBL11136251

SCHEMBL11136251

Oc1ccccc1C(Cc1ccccc1)(Cc1ccccc1)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
FDPS P14324 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
KCNA5 P22460 1/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL18076576 0.88 ALDH1A1 (0.45) TSHRALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL7109716 0.78 ALDH1A1 (0.52) TSHRALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL8520409 0.78 CYP2C9 (0.48) TSHRALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL8863024 0.78 CYP2C9 (0.48) TSHRALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL1844955 0.75 ALDH1A1 (0.48) TSHRALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL6522579 0.73 TSHR (0.56) TSHRALDH1A1TDP1HIF1ASMN1; SMN2
SCHEMBL6546251 0.70 TSHR (0.52) TSHRALDH1A1TDP1HIF1ASMN1; SMN2
SCHEMBL68967 0.70 KIF11 (0.51) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL5946723 0.69 CYP1A2 (0.58) TSHRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL677566 0.68 ALDH1A1 (0.45) TSHRALDH1A1TDP1HIF1ASMN1; SMN2

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-4371600-A Release overcoat for photoresponsive device XEROX CORPORATION (US) 1983-02-01 US disclosed