SCHEMBL7366413

SCHEMBL7366413

CCCC(F)OC(=O)C(=CCCCCc1ccccc1)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
CTSK P43235 2/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 3/20 0.37
PPARA Q07869 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.37
S1PR2 O95136 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
KDM4A O75164 1/20 0.36
S1PR4 O95977 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL6825790 0.76 SIGMAR1 (0.42) SIGMAR1CTSKMAPTRXFP1
SCHEMBL6825792 0.76 SIGMAR1 (0.42) SIGMAR1CTSKMAPTRXFP1
SCHEMBL7363348 0.73 MAPT (0.42) SIGMAR1CTSKKMT2AEPHX2PPARA
SCHEMBL7361452 0.70 GPR52 (0.48)
SCHEMBL29257745 0.69 MMP12 (0.46) KMT2AALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL29287394 0.67 MEN1 (0.49) KMT2AALDH1A1EPHX2
SCHEMBL17183711 0.66 MAPT (0.46) HPGDEPHX2PPARAS1PR2S1PR1
SCHEMBL17183745 0.66 MAPT (0.46) HPGDEPHX2PPARAS1PR2S1PR1
SCHEMBL6819969 0.65 GRIK1 (0.51) MAPTRXFP1
SCHEMBL6819963 0.65 GRIK1 (0.51) MAPTRXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP disclosed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP disclosed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO disclosed