SCHEMBL7979731

SCHEMBL7979731

COc1ccc(C(=O)OC[C@@H]2CCCC[C@@H]2OO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ESR2 Q92731 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
MDM2 Q00987 1/20 0.40

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
SCHEMBL7997324 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL7991911 0.97 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL7994325 0.97 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL18461191 0.77 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL13498610 0.77 CA1 (0.55) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL5498052 0.77 CA1 (0.55) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL2481338 0.74 GSK3B (0.47) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL27587477 0.74 ALDH1A1 (0.52) ALDH1A1MAPT
SCHEMBL10380361 0.72 L3MBTL1 (0.63) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL17233757 0.72 CA1 (0.51) SMN1; SMN2ALDH1A1MAPTCA1CA2

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-6297267-B1 PROSTAGLANDIN I2 AGONIST. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-02 US disclosed