SCHEMBL9876110

SCHEMBL9876110

Cc1ccc(C)c2c(C)ccc-2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 6/20 0.52
TAAR1 Q96RJ0 1/20 0.43
CYP3A4 P08684 4/20 0.42
TP53 P04637 3/20 0.42
ALOX15 P16050 2/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
TSHR P16473 2/20 0.40
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
SRC P12931 1/20 0.37
ACHE P22303 2/20 0.37

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
SCHEMBL9875524 0.87 CNR1 (0.44) ALDH1A1TDP1TAAR1CYP3A4SMN1; SMN2
SCHEMBL9876053 0.86 ALDH1A1 (0.50) ALDH1A1TDP1TAAR1CYP3A4TP53
SCHEMBL31236143 0.79 ACHE (0.52) ALDH1A1TP53SMN1; SMN2HSD17B10HPGD
SCHEMBL30122516 0.74 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4SMN1; SMN2TSHR
SCHEMBL1044029 0.72 ACHE (0.44) ALDH1A1TDP1CYP3A4LMNACYP1A2
SCHEMBL1044722 0.72 MEN1 (0.47) ALDH1A1TDP1TP53SMN1; SMN2CYP1A2
SCHEMBL10603083 0.72 CYP2A6 (0.50) ALDH1A1TDP1TAAR1TP53SMN1; SMN2
SCHEMBL26032118 0.72 ACHE (0.50) ALDH1A1SMN1; SMN2HPGDTSHRACHE
SCHEMBL139182 0.70 ESRRA (0.46) ALDH1A1TDP1TAAR1TP53HPGD
SCHEMBL30445989 0.70 ESRRA (0.46) ALDH1A1TDP1TAAR1TP53HPGD

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed