SCHEMBL7654284

SCHEMBL7654284

Cc1c(CO)cccc1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GLA P06280 1/20 0.53
PTGDR2 Q9Y5Y4 6/20 0.50
MAPT P10636 1/20 0.50
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLA2G10 O15496 1/20 0.43
PLA2G1B P04054 1/20 0.43
PLA2G2A P14555 1/20 0.43
PLA2G5 P39877 1/20 0.43

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
SCHEMBL5379717 0.86 L3MBTL1 (0.63) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL7994085 0.84 MAPK1 (0.46) L3MBTL1KDM4EALDH1A1TDP1POLB
SCHEMBL3409855 0.82 L3MBTL1 (0.67) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL19519819 0.81 KDM4E (0.56) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL2059383 0.81 POLB (0.58) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL7104442 0.80 DDB1 (0.52) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL1950706 0.80 KDM4E (0.49) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL6746949 0.79 L3MBTL1 (0.56) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL2354192 0.79 PDCD1 (0.47) L3MBTL1KDM4EALDH1A1TDP1POLB
SCHEMBL19086322 0.79 PTGDR2 (0.61) L3MBTL1KDM4EALDH1A1HPGDTDP1

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
US-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 US disclosed
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed