SCHEMBL10907463

SCHEMBL10907463

CCc1cccc(OC(C)(C)C(=O)O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PPARA Q07869 13/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G2A P14555 1/20 0.44
PPARG P37231 10/20 0.41
FABP2 P12104 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
MGLL Q99685 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
PPARD Q03181 4/20 0.39
CYP2C9 P11712 1/20 0.37

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
SCHEMBL29224676 0.83 KDM4E (0.58) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL7323219 0.83 GABRA1 (0.39) KDM4EALDH1A1HSD17B10PPARAKMT2A
SCHEMBL5822903 0.82 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL1046455 0.75 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL11939834 0.74 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL5795204 0.74 KDM4E (0.55) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL5794671 0.74 KDM4E (0.55) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL7737265 0.74 HTR2A (0.43) MAPTGABRA1GABRB2
SCHEMBL11285273 0.74 PPARA (0.53) KDM4EALDH1A1HSD17B10PPARACYP2C19
SCHEMBL29195871 0.73 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10PPARACYP2C19

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
US-4613330-A Delivery system for desired agents MICHELSON PAUL E 1986-09-23 US disclosed