SCHEMBL7378941

SCHEMBL7378941

CN(C)C=C(SCc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
CCR2 P41597 9/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
CHRM3 P20309 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 2/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 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
SCHEMBL7669630 0.91 RXFP1 (0.40) RXFP1CCR2PPARGPPARAKCNQ4
SCHEMBL7669626 0.91 RXFP1 (0.40) RXFP1CCR2PPARGPPARAKCNQ4
SCHEMBL7513228 0.83 RXFP1 (0.42) RXFP1CCR2PPARGPPARAKCNQ4
SCHEMBL7667429 0.79 ALDH1A1 (0.47) RXFP1CCR2PPARGPPARACYP1A2
SCHEMBL7387757 0.78 RXFP1 (0.45) RXFP1CCR2PPARGPPARAKCNQ4
SCHEMBL7673407 0.76 RXFP1 (0.43) RXFP1CCR2PPARGPPARACYP1A2
SCHEMBL7379048 0.76 RXFP1 (0.43) RXFP1CCR2PPARGPPARACYP1A2
SCHEMBL7379044 0.76 RXFP1 (0.43) RXFP1CCR2PPARGPPARACYP1A2
SCHEMBL6755116 0.76 RXFP1 (0.41) RXFP1CCR2KCNQ4KCNQ5CYP1A2
SCHEMBL6755114 0.76 RXFP1 (0.41) RXFP1CCR2KCNQ4KCNQ5CYP1A2

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-1000067-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-10-23 EP disclosed
EP-1000067-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 2000-05-17 EP disclosed
WO-1999005147-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1999-02-04 WO disclosed