SCHEMBL11043547

SCHEMBL11043547

[CH2]c1ccc(C=C)cc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
TRPA1 O75762 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 1/20 0.32
MCL1 Q07820 1/20 0.31
ESR1 P03372 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
SCHEMBL30767842 0.84 TDP1 (0.45) ALDH1A1TDP1TP53TRPA1MAPT
SCHEMBL1362573 0.84 TDP1 (0.45) ALDH1A1TDP1TP53TRPA1MAPT
SCHEMBL10417562 0.81 ALDH1A1 (0.40) ALDH1A1TDP1TP53TRPA1MAPT
SCHEMBL2313482 0.81 TDP1 (0.42) ALDH1A1TDP1TP53TRPA1MAPT
SCHEMBL24982506 0.79 ALDH1A1 (0.43) ALDH1A1TDP1TP53TRPA1MAPT
SCHEMBL21287940 0.79 ALDH1A1 (0.39) ALDH1A1TDP1TP53TRPA1MAPT
SCHEMBL16954401 0.79 L3MBTL1 (0.41) ALDH1A1TDP1TP53TRPA1TAS1R3
SCHEMBL16960986 0.79 ALDH1A1 (0.39) ALDH1A1TDP1TP53TRPA1MAPT
SCHEMBL685611 0.79 TRPA1 (0.52) ALDH1A1TRPA1ESR1ESR2
SCHEMBL25673398 0.79 ALDH1A1 (0.39) ALDH1A1TDP1TP53TRPA1MAPT

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-0036528-B1 BUTADIENE-STYRENE-VINYL BENZYL CHLORIDE TERPOLYMERS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1985-01-16 EP claimed