SCHEMBL17040666

SCHEMBL17040666

CC(C)Oc1ncc(Cl)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.44
ALDH1A1 P00352 1/20 0.44
TYK2 P29597 1/20 0.42
PTGER2 P43116 2/20 0.41
S1PR1 P21453 2/20 0.39
DHODH Q02127 1/20 0.39
CNR1 P21554 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCR2 P41597 1/20 0.38
CCR4 P51679 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL30843230 0.84 LMNA (0.46) PTGER4ALDH1A1TYK2PTGER2CNR1
SCHEMBL30989977 0.84 DHODH (0.42) PTGER4ALDH1A1PTGER2DHODHCYP1A2
SCHEMBL30990022 0.84 DHODH (0.42) PTGER4ALDH1A1PTGER2DHODHCYP1A2
SCHEMBL30843211 0.82 TYK2 (0.44) PTGER4ALDH1A1TYK2PTGER2CNR1
SCHEMBL9653496 0.81 KDM4E (0.45) PTGER4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30990017 0.81 KDM4E (0.45) PTGER4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11551863 0.81 PTGER1 (0.43) PTGER4PTGER2DHODHCYP3A4CYP2C9
SCHEMBL4018803 0.79 MAPK1 (0.43) PTGER4ALDH1A1PTGER2S1PR1S1PR5
SCHEMBL11463145 0.79 KMT2A (0.49) PTGER4ALDH1A1PTGER2CYP1A2CYP3A4
SCHEMBL30990046 0.79 KMT2A (0.49) PTGER4ALDH1A1PTGER2CYP1A2CYP3A4

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
WO-2015125785-A1 PYRAZOLONE DERIVATIVE HAVING MULTIPLE SUBSTITUENTS 第一三共株式会社 2015-08-27 WO disclosed