SCHEMBL9699174

SCHEMBL9699174

CCOC(=O)CCCCSc1nc2ccc(F)cc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.55
TBXA2R P21731 9/20 0.48
GNRHR P30968 1/20 0.46
DRD2 P14416 6/20 0.45
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX3 P56373 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9682472 0.93 TBXA2R (0.57) PTGDR2TBXA2RGNRHRDRD2AGTR1
SCHEMBL9581575 0.90 TBXA2R (0.58) PTGDR2TBXA2RGNRHRDRD2AGTR1
SCHEMBL9681428 0.84 PTGDR2 (0.71) PTGDR2TBXA2RDRD2
SCHEMBL9682889 0.79 TBXA2R (0.64) TBXA2RGNRHRDRD2AGTR1AGTR2
SCHEMBL5107355 0.77 PTGDR2 (0.75) PTGDR2
SCHEMBL9682042 0.77 PTGDR2 (0.53) PTGDR2TBXA2RDRD2ALDH1A1NPSR1
SCHEMBL9700228 0.76 ALDH1A1 (0.60) PTGDR2TBXA2RALDH1A1LMNAKDM4E
SCHEMBL9683250 0.76 TBXA2R (0.66) PTGDR2TBXA2RGNRHRDRD2AGTR1
SCHEMBL9699191 0.74 PTGDR2 (0.66) PTGDR2TBXA2RDRD2LMNANPSR1
SCHEMBL9771978 0.72 TBXA2R (0.50) TBXA2RGNRHRAGTR1AGTR2ALDH1A1

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-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed