SCHEMBL7590767

SCHEMBL7590767

CCC1([C@@H](O)CCS(=O)(=O)c2ccccc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.42
HSD11B1 P28845 6/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RCE1 Q9Y256 1/20 0.35
GAA P10253 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35

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
SCHEMBL7584043 0.72 ALDH1A1 (0.39) PSIP1RAB9ANPC1KMT2AALDH1A1
SCHEMBL28763540 0.72 PSIP1 (0.52) PSIP1HSD11B1KMT2AALDH1A1TP53
SCHEMBL20087726 0.71 HSD11B1 (0.49) PSIP1HSD11B1RAB9ANPC1KMT2A
SCHEMBL3868306 0.70 PSIP1 (0.46) PSIP1HSD11B1RAB9ANPC1KMT2A
SCHEMBL29060741 0.69 PSIP1 (0.48) PSIP1HSD11B1ALDH1A1TP53HTT
SCHEMBL2448610 0.68 PSIP1 (0.56) PSIP1HSD11B1RAB9ANPC1KMT2A
SCHEMBL2443006 0.67 PSIP1 (0.55) PSIP1HSD11B1KMT2AALDH1A1TP53
SCHEMBL29060735 0.67 FFAR4 (0.46) PSIP1HSD11B1
SCHEMBL14362748 0.66 HSD11B1 (0.50) PSIP1HSD11B1KMT2AALDH1A1TP53
SCHEMBL7000851 0.66 PSIP1 (0.48) PSIP1HSD11B1RAB9ANPC1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974580-B1 Omega-cycloalkyl-prostaglandin E1 derivatives ONO PHARMACEUTICAL CO (JP) 2002-06-05 EP disclosed
US-6235780-B1 ANTIHISTAMINE; VISION DEFECTS ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-22 US disclosed
EP-0974580-A1 Omega-cycloalkyl-prostaglandin E1 derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2000-01-26 EP disclosed