SCHEMBL10692545

SCHEMBL10692545

C[CH]Oc1ccccc1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.40
NISCH Q9Y2I1 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
NFE2L2 Q16236 2/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
KMT2A Q03164 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36

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
SCHEMBL2096860 0.83 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL9538605 0.81 IDO1 (0.34) L3MBTL1MAPTNPSR1KDM4ENFE2L2
SCHEMBL10370964 0.81 IDO1 (0.34) L3MBTL1MAPTNPSR1NFE2L2TSHR
SCHEMBL3391113 0.81 L3MBTL1 (0.48) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL1253668 0.78 ALDH1A1 (0.48) KDM4ENISCHTSHRADRA2AADRA2B
SCHEMBL28522552 0.78 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL5491774 0.77 THRA (0.56)
SCHEMBL11129111 0.77 THRA (0.56)
SCHEMBL18139176 0.77 THRA (0.56)
SCHEMBL11323416 0.77 THRA (0.56)

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-0273426-A2 Enamine derivatives, production thereof and electrophotographic plates containing the same Hitachi Chemical Co., Ltd. (JP) 1988-07-06 EP disclosed