SCHEMBL9494083

SCHEMBL9494083

Cc1cc(CCCl)cc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
RECQL P46063 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL10144468 0.84 LMNA (0.40) HTTLMNAALDH1A1KDM4EPOLB
SCHEMBL1314802 0.79 HTT (0.43) HTTSMN1; SMN2LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL502252 0.77 HTT (0.42) HTTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL10456934 0.77 NOS3 (0.39) HTTLMNAALDH1A1KDM4EMEN1
SCHEMBL3124697 0.74 ALDH1A1 (0.36) HTTLMNAALDH1A1KDM4EMEN1
SCHEMBL11859138 0.74 PGK1 (0.39) HTTLMNAALDH1A1KDM4EMEN1
SCHEMBL10728370 0.73 MAPK1 (0.54) HTTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13008173 0.73 LMNA (0.40) HTTLMNAKDM4EMEN1KMT2A
SCHEMBL8194463 0.71 ALDH1A1 (0.50) HTTALDH1A1KDM4ENOS3NOS1
SCHEMBL5821732 0.71 PTGS2 (0.54) HTTLMNAALDH1A1KDM4E

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
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed