SCHEMBL21164200

SCHEMBL21164200

CC(CC(CC(CC(CC(CCc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.46
CYP19A1 P11511 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACP3 P15309 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 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
SCHEMBL4902969 1.00 TRPA1 (0.46) TRPA1CYP19A1TAAR1RIPK1ALDH1A1
SCHEMBL4895660 1.00 TRPA1 (0.46) TRPA1CYP19A1TAAR1RIPK1ALDH1A1
SCHEMBL3405992 0.96 TRPA1 (0.49) TRPA1CYP19A1TAAR1RIPK1ALDH1A1
SCHEMBL1538484 0.89 CYP19A1 (0.50) CYP19A1TAAR1ALDH1A1ACP3SLC6A2
SCHEMBL1539110 0.87 CYP19A1 (0.51) CYP19A1TAAR1ALDH1A1ACP3SLC6A2
SCHEMBL13243746 0.84 F2 (0.45) TRPA1TSHRPOLB
SCHEMBL3674520 0.83 TRPA1 (0.59) TRPA1TAAR1RIPK1ALDH1A1SLC6A3
SCHEMBL10014856 0.82 CYP19A1 (0.45) CYP19A1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL3020929 0.81 SLC6A2 (0.40) CYP19A1TAAR1ALDH1A1ACP3SLC6A2
SCHEMBL13814553 0.81 ALDH1A1 (0.43) TRPA1CYP19A1ALDH1A1CYP1A2CYP2C9

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-10351684-B2 Ion exchange membrane, polymer element, electronic apparatus, camera module, and imaging device DEXERIALS CORPORATION (JP) 2019-07-16 US disclosed