SCHEMBL14227197

SCHEMBL14227197

Cc1ccccc1B1Oc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL14227194 0.82 ACHE (0.41) ACHEALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15976053 0.79 TDP1 (0.34) ACHEALDH1A1TDP1CYP2A6
SCHEMBL3790257 0.78 TSHR (0.45) ACHETSHRALDH1A1CA1CA2
SCHEMBL14227228 0.75 ACHE (0.37) ACHETSHR
SCHEMBL3194535 0.74 TRPA1 (0.42) ALDH1A1CA1CA2CYP3A4TDP1
SCHEMBL14227206 0.73 TAS2R14 (0.37) TSHRALDH1A1CYP3A4RAB9ACYP2A6
SCHEMBL6693267 0.73 ACHE (0.39) ACHETSHRALDH1A1CA1CA2
SCHEMBL3180807 0.73 CYP3A4 (0.39) TSHRALDH1A1CYP3A4TDP1NPC1
SCHEMBL14227203 0.73 ACHE (0.32) ACHE
SCHEMBL20312421 0.72 MAPT (0.35) TSHRALDH1A1TDP1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815453-B1 Flame retardant battery QUALLION LLC (US) 2014-08-26 US disclosed
US-20120313570-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY, AND BATTERY PACK, ELECTRONIC APPLIANCE, ELECTRIC VEHICLE, ELECTRICITY STORAGE APPARATUS, AND ELECTRIC POWER SYSTEM EACH USING NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-12-13 US disclosed