SCHEMBL9533711

SCHEMBL9533711

COC1=CC[CH]C(c2ccc(OCC3(C)CCCCC3)cc2)=C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 1/20 0.35
ACACB O00763 1/20 0.32

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
SCHEMBL4805626 0.76 CA12 (0.41) HPGDALDH1A1TDP1MEN1TP53
SCHEMBL9440408 0.70 HPGD (0.54) HPGDPARP1ALDH1A1TDP1MEN1
SCHEMBL9440328 0.69 HPGD (0.53) HPGDPARP1ALDH1A1TDP1MEN1
SCHEMBL508167 0.69 HPGD (0.53) HPGDPARP1ALDH1A1TDP1MEN1
SCHEMBL8503886 0.69 HPGD (0.52) HPGDPARP1ALDH1A1TDP1MEN1
SCHEMBL6062147 0.69 PIM1 (0.31) HPGDALDH1A1TDP1MEN1MAPT
SCHEMBL4807843 0.69 MEN1 (0.33) HPGDMEN1TP53CYP1A2ALOX15
SCHEMBL1299701 0.68 HPGD (0.63) HPGDPARP1ALDH1A1TDP1MEN1
Hydrochloric Acid SCHEMBL507244 0.68 HPGD (0.52) HPGDPARP1ALDH1A1TDP1MEN1
SCHEMBL27898008 0.68 CA12 (0.46) HPGDPARP1ALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549600-A1 5-TRIFLUOROACYLAMINO-2-ARYL OXAZOLES PFIZER INC. (US) 1993-07-07 EP claimed
WO-1992005163-A1 5-TRIFLUOROACYLAMINO-2-ARYL OXAZOLES PFIZER INC. (US) 1992-04-02 WO claimed