SCHEMBL9474602

SCHEMBL9474602

COc1ccccc1OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.69
RXRA P19793 1/20 0.66
ATM Q13315 1/20 0.64
HTR1A P08908 2/20 0.61
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
SMPD1 P17405 1/20 0.58
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ABCB1 P08183 3/20 0.51

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
SCHEMBL30416387 0.88 HTR1A (0.74) APPRXRAATMHTR1AADRA1D
SCHEMBL791853 0.88 HTR1A (0.74) APPRXRAATMHTR1AADRA1D
Ammonia Solution, Strong SCHEMBL2063054 0.86 HTR1A (0.72) APPRXRAATMHTR1AADRA1D
SCHEMBL12303132 0.84 KDM4E (0.60) HTR1AADRA1DADRA1AADRA1BSMPD1
SCHEMBL906201 0.81 HTR1A (0.66) APPRXRAATMHTR1AADRA1D
SCHEMBL28014706 0.81 RXRA (0.66) APPRXRAHTR1AADRA1DADRA1A
SCHEMBL18429769 0.81 APP (1.00) APPRXRAATMHTR1AADRA1D
SCHEMBL15264273 0.81 APP (0.69) APPRXRAATMHTR1AADRA1D
Ethylamine SCHEMBL28464910 0.80 HTR1A (0.64) APPRXRAATMHTR1AADRA1D
SCHEMBL16823466 0.80 RXRA (1.00) APPRXRAATMMAPTKDM4E

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
JP-5112073-A None JP disclosed
JP-H05112073-A THERMAL RECORDING MATERIAL NIPPON STEEL CHEM CO LTD 1993-05-07 JP disclosed