SCHEMBL10716817

SCHEMBL10716817

OC(CCc1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
GPR35 Q9HC97 2/20 0.36
CYP2C9 P11712 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
MAPT P10636 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
NQO2 P16083 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL241213 0.80 MEN1 (0.40) HTR2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL22288182 0.79 TACR3 (0.41) HTR2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL2113581 0.77 MAPT (0.41) L3MBTL1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2113229 0.76 MAPT (0.43) L3MBTL1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9445712 0.76 HTR2A (0.65) HTR2AL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL243405 0.76 LMNA (0.47) HTR2AL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL7904997 0.76 L3MBTL1 (0.50) HTR2AL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL13217608 0.76 HTR2A (0.41) HTR2AL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL24689365 0.73 L3MBTL1 (0.41) HTR2AL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL27994398 0.72 ALDH1A1 (0.43) HTR2AL3MBTL1ALDH1A1KDM4EPOLB

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-62281830-A None JP disclosed
JP-S62281830-A OPTICALLY ACTIVE COMPOUND DAICEL CHEM IND LTD 1987-12-07 JP disclosed