SCHEMBL7839258

SCHEMBL7839258

CNC(=O)Cc1cccc2ccc(SC3CCCC3)cc12.O=C(CCCc1cccc2ccc(Sc3ccccc3)cc12)NC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
EPHX1 P07099 1/20 0.40
HPGD P15428 3/20 0.39
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTNR1A P48039 1/20 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
SCHEMBL6076741 0.88 EPHX2 (0.54) EPHX2EPHX1HPGDTSHRALDH1A1
SCHEMBL6075943 0.82 MTNR1A (0.42) HPGDSIGMAR1KMT2AMEN1CYP3A4
SCHEMBL7840877 0.75 EPHX2 (0.46) EPHX2EPHX1HPGDTSHRALDH1A1
SCHEMBL5337584 0.73 EPHX2 (0.54) EPHX2EPHX1HPGDNPC1RAB9A
SCHEMBL6076801 0.73 EPHX2 (0.53) EPHX2EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL5340392 0.73 EPHX2 (0.53) EPHX2EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL5351385 0.73 EPHX2 (0.53) EPHX2EPHX1HPGDRAB9AKMT2A
SCHEMBL5348981 0.73 EPHX2 (0.53) EPHX2EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL6075637 0.73 EPHX2 (0.53) EPHX2EPHX1HPGDSMN1; SMN2NPC1
SCHEMBL6076703 0.72 EPHX2 (0.54) EPHX2EPHX1HPGDALDH1A1SMN1; SMN2

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
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO disclosed