SCHEMBL11516002

SCHEMBL11516002

CC(C)C(CCCCCCC(=O)O)NCc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
FOLH1 Q04609 2/20 0.46
TBXA2R P21731 3/20 0.46
MAPK1 P28482 1/20 0.45
PTGER1 P34995 1/20 0.44
PTGFR P43088 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
TSHR P16473 1/20 0.39

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
Zafuleptine SCHEMBL2110004 1.00 HTT (0.48) HTTFOLH1TBXA2RMAPK1PTGER1
SCHEMBL11519292 1.00 HTT (0.48) HTTFOLH1TBXA2RMAPK1PTGER1
SCHEMBL11519593 0.99 HTT (0.49) HTTFOLH1TBXA2RMAPK1PTGER1
SCHEMBL11516163 0.89 HPGD (0.43) HTTFOLH1MAPK1HPGDLMNA
SCHEMBL11515011 0.88 DPP7 (0.46) FOLH1HPGDLMNAMEN1KMT2A
SCHEMBL11515245 0.85 LMNA (0.49) HTTFOLH1MAPK1HPGDLMNA
SCHEMBL11518505 0.85 MAPK1 (0.49) HTTFOLH1MAPK1HPGDLMNA
SCHEMBL11516756 0.84 HPGD (0.42) FOLH1MAPK1HPGDLMNAHDAC3
SCHEMBL11515838 0.83 FOLH1 (0.46) HTTFOLH1TBXA2RMAPK1HPGD
SCHEMBL11516594 0.83 HTT (0.45) HTTFOLH1TBXA2RMAPK1PTGER1

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
US-4154851-A ANTIDEPRESSANTS, ANTIAGRESSIVE AGENTS SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1979-05-15 US claimed
US-4154851-A ANTIDEPRESSANTS, ANTIAGRESSIVE AGENTS SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1979-05-15 US disclosed