SCHEMBL8630307

SCHEMBL8630307

O=C=CCc1ccccc1-c1cc(=O)c2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
CYP3A4 P08684 4/20 0.51
MEN1 O00255 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 3/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP2D6 P10635 2/20 0.51
MAPT P10636 2/20 0.51
ALOX15 P16050 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALOX12 P18054 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL623886 0.81 AKR1C3 (0.57) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL11035644 0.80 HPGD (0.63) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL8025501 0.74 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL10800023 0.74 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL10800581 0.73 HPGD (0.53) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL4634256 0.72 HPGD (0.73) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL4634792 0.71 HPGD (0.59) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL25186939 0.71 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL87773 0.71 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL530293 0.71 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3

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-5849786-A Process for the treatment or prevention of herpes BIDEL CHRISTIAN-GEORGES (FR) 1998-12-15 US disclosed