SCHEMBL7434182

SCHEMBL7434182

CCCC[S+]([O-])c1ccc2c(c1)OCC(C(O)CN)O2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7436013 0.84 LMNA (0.33) LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL10996527 0.82 BAX (0.30)
SCHEMBL7436499 0.81 GNAI3 (0.30)
SCHEMBL7430118 0.78 TAAR1 (0.40)
SCHEMBL7446833 0.77 MAPT (0.42) MAPTSMN1; SMN2
SCHEMBL7446273 0.77 HPGD (0.44) TAS1R3TAS1R1MAPTSMN1; SMN2
SCHEMBL7435505 0.76 PNMT (0.36) LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7437379 0.76 MAOA (0.35) TAS1R3TAS1R1LMNAMAPTSMN1; SMN2
SCHEMBL7446269 0.75 HPGD (0.32)
SCHEMBL7436205 0.75 CA2 (0.46) LMNAMAPTSMN1; SMN2NPSR1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed