SCHEMBL8599331

SCHEMBL8599331

COc1ccc(CCC(NS(=O)(=O)CCc2ccccc2)(Oc2cccc3ccccc23)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PTPN1 P18031 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MTNR1A P48039 4/20 0.40
MTNR1B P49286 3/20 0.40
HPGD P15428 1/20 0.39
MCL1 Q07820 1/20 0.39
POLB P06746 1/20 0.39
SGMS1 Q86VZ5 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL8604553 0.85 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8604561 0.72 ALDH1A1 (0.44) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL8603621 0.70 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8602015 0.67 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8603459 0.67 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL18065719 0.67 NPC1 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7228204 0.67 PGR (0.51) MEN1KMT2AMMP8MMP12MMP13
SCHEMBL8601740 0.65 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8603718 0.65 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL18065675 0.65 MEN1 (0.56) NPC1RAB9APTPN1MEN1KMT2A

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-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US disclosed