SCHEMBL9701669

SCHEMBL9701669

Cc1ccccc1-c1cccc(-c2cccc(C)c2C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
TRPA1 O75762 1/20 0.44
ATM Q13315 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
P2RX7 Q99572 1/20 0.40
BRD4 O60885 1/20 0.39
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR7 P34969 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL284410 0.97 TSHR (0.47) TSHRACHETRPA1ATMCD274
SCHEMBL30834716 0.89 TRPA1 (0.52) TSHRACHETRPA1ATMNPC1
SCHEMBL218508 0.89 TRPA1 (0.52) TSHRACHETRPA1ATMNPC1
Ammonia Solution, Strong SCHEMBL15862222 0.86 TRPA1 (0.50) TSHRACHETRPA1ATMNPC1
Hydrogen Sulfide SCHEMBL1538405 0.86 TRPA1 (0.50) TSHRACHETRPA1ATMNPC1
Ammonia Solution, Strong SCHEMBL22444763 0.86 TRPA1 (0.50) TSHRACHETRPA1ATMNPC1
Phenol SCHEMBL11781173 0.84 TRPA1 (0.46) TSHRACHETRPA1ATMCD274
Phosphoric Acid SCHEMBL28782897 0.84 TRPA1 (0.41) TSHRACHETRPA1ATMNPC1
SCHEMBL19838629 0.83 TRPA1 (0.48) TSHRACHETRPA1ATMSMN1; SMN2
SCHEMBL28533248 0.83 CD274 (0.53) TSHRACHECD274NPC1RAB9A

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-0475676-A1 Electrophotographic member HITACHI CHEMICAL CO., LTD. (JP) 1992-03-18 EP disclosed