SCHEMBL28032010

SCHEMBL28032010

Cc1ccccc1N(c1ccc(O)cc1)c1ccc(N(c2ccc(O)cc2)c2ccccc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 3/20 0.43
HSD17B1 P14061 6/20 0.41
HSD17B2 P37059 5/20 0.41
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.36
APP P05067 1/20 0.35

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
SCHEMBL20998372 0.96 ESR1 (0.41) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL4893894 0.87 ACHE (0.43) CYP3A4LMNAACHECYP1A2CYP2C19
SCHEMBL8943827 0.85 ALDH1A1 (0.44) CYP3A4LMNAACHECYP1A2CYP2C19
SCHEMBL8943789 0.84 ACHE (0.45) CYP3A4LMNAACHECYP1A2CYP2C19
SCHEMBL16521522 0.84 ESR1 (0.50) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL9724236 0.83 TSHR (0.42) HSD17B1HSD17B2CYP3A4LMNAACHE
SCHEMBL3477596 0.83 ALDH1A1 (0.48) CYP3A4LMNAACHECYP1A2CYP2C19
SCHEMBL186536 0.82 TSHR (0.43) CYP3A4LMNAACHECYP1A2CYP2C19
SCHEMBL7486408 0.82 ACHE (0.43) CYP3A4LMNAACHECYP1A2CYP2C19
SCHEMBL8721452 0.82 ESR1 (0.41) ESR1ESR2HSD17B1HSD17B2CYP3A4

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
CN-104919608-B Thermo-electric converting material, thermoelectric conversion element and the thermoelectric power generation article using it and sensor-use source 富士胶片株式会社 2017-06-23 CN disclosed
CN-104919608-A THERMOELECTRIC CONVERSION MATERIAL, THERMOELECTRIC CONVERSION ELEMENT, ARTICLE FOR THERMOELECTRIC POWER GENERATION USING THERMOELECTRIC CONVERSION ELEMENT, AND POWER SUPPLY FOR SENSORS USING THERMOELECTRIC CONVERSION ELEMENT FUJIFILM CORP 2015-09-16 CN disclosed