SCHEMBL5333517

SCHEMBL5333517

C=CC([NH])(O)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.39
GGPS1 O95749 7/20 0.39
TSHR P16473 2/20 0.36
SMPD1 P17405 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.32

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
SCHEMBL31201072 0.78 TSHR (0.43) FDPSGGPS1TSHRSMPD1ALDH1A1
SCHEMBL4790559 0.76 TSHR (0.39) FDPSGGPS1TSHRSMPD1ALDH1A1
SCHEMBL28803556 0.76 FDPS (0.41) FDPSGGPS1TSHRSMPD1ALDH1A1
SCHEMBL10602705 0.76 FDPS (0.41) FDPSGGPS1TSHRSMPD1ALDH1A1
SCHEMBL17479115 0.75 TSHR (0.48) FDPSGGPS1TSHRSMPD1ALDH1A1
SCHEMBL18240327 0.75 TSHR (0.42) FDPSGGPS1TSHRSMPD1ALDH1A1
SCHEMBL31648195 0.74 FDPS (0.43) FDPSGGPS1TSHRSMPD1CES2
SCHEMBL294887 0.74 ALOX15 (0.52) FDPSGGPS1TSHR
SCHEMBL2754123 0.73 FDPS (0.39) FDPSGGPS1TSHRSMPD1ALDH1A1
SCHEMBL4591909 0.73 ALOX15 (0.50) FDPSGGPS1TSHR

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
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed