SCHEMBL6385141

SCHEMBL6385141

CCCC(C(=O)O)c1ccc(NC(=O)C(C)(C)N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ABCC9 O60706 2/20 0.37
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
KCNJ8 Q15842 2/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
AR P10275 2/20 0.35
TSHR P16473 2/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL20282765 0.69 TAS1R3 (0.44)
SCHEMBL8200423 0.67 L3MBTL1 (0.67) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL8029788 0.67 AR (0.60) S1PR1AR
SCHEMBL28307531 0.67 ALDH1A1 (0.57) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL27608722 0.66 TYR (0.38) ALOX5TSHRKMT2ACA2
SCHEMBL12500530 0.65 MAPT (0.42) PTGESALOX5
SCHEMBL10336022 0.65 RARB (0.54) PTGESALOX5TSHR
SCHEMBL1589867 0.64 AKR1C3 (0.46) PTGS1PTGS2
SCHEMBL21164761 0.64 TSHR (0.54) S1PR1S1PR3S1PR4S1PR5TSHR
SCHEMBL16963923 0.63 CES2 (0.46) PTGS1

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
EP-1497316-A2 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2005-01-19 EP disclosed
WO-2003087070-A2 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2003-10-23 WO disclosed