SCHEMBL7878377

SCHEMBL7878377

CCC(C)c1cc(O)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TSHR P16473 2/20 0.35
HCAR1 Q9BXC0 1/20 0.35
ADRB2 P07550 3/20 0.35
ADRA1A P35348 2/20 0.35
HIF1A Q16665 1/20 0.35
RXRA P19793 1/20 0.35
OPRM1 P35372 2/20 0.33

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
SCHEMBL10244197 0.85 USP2 (0.44) ALOX15ALDH1A1USP2GAAPKM
SCHEMBL10244133 0.85 USP2 (0.44) ALOX15ALDH1A1USP2GAAPKM
SCHEMBL15445117 0.85 USP2 (0.44) ALOX15ALDH1A1USP2GAAPKM
SCHEMBL69138 0.85 ALOX15 (0.48) ALOX15ALDH1A1USP2GAAPKM
SCHEMBL6536206 0.85 ALOX15 (0.48) ALOX15ALDH1A1USP2GAAPKM
SCHEMBL22526148 0.79 ALDH1A1 (0.40) ALOX15ALDH1A1USP2GAAPKM
SCHEMBL681628 0.79 CA1 (0.55) CA12CA1CA9ALOX15ALDH1A1
SCHEMBL22694726 0.78 ALDH1A1 (0.39) ALOX15ALDH1A1USP2GAAPKM
SCHEMBL11671634 0.78 ALDH1A1 (0.48) ALOX15ALDH1A1USP2GAAPKM
SCHEMBL19304391 0.76 ALDH1A1 (0.38) ALOX15ALDH1A1USP2GAAPKM

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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed