SCHEMBL7440298

SCHEMBL7440298

O=C(CCl)NC1CCCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.61
HPGD P15428 3/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 2/20 0.59
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP3A4 P08684 2/20 0.56
EPHX2 P34913 2/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.53
CYP2C19 P33261 1/20 0.52

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
SCHEMBL227416 1.00 EPHX1 (0.61) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3453982 0.98 SMN1; SMN2 (0.61) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4303783 0.93
SCHEMBL224441 0.88
SCHEMBL10824411 0.84 ALDH1A1 (0.60) EPHX1SMN1; SMN2ALDH1A1NPSR1NPC1
SCHEMBL3075216 0.83 EPHX1 (0.68) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9639138 0.83 SMN1; SMN2 (0.67) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10587847 0.81 ALDH1A1 (0.83) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL943151 0.80 EPHX2 (0.58) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL854700 0.80 MTNR1A (0.45) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed