SCHEMBL9440366

SCHEMBL9440366

CCOP(=O)(Cc1ccc(OCC2(C)CCCCC2)cc1)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PARP1 P09874 1/20 0.45
PPARG P37231 1/20 0.40
ACACB O00763 1/20 0.40
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPY5R Q15761 1/20 0.34
HIF1A Q16665 1/20 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
SCHEMBL9440267 0.82 HPGD (0.54) HPGDHSD17B10ALDH1A1MEN1MAPT
SCHEMBL10866160 0.78 NQO1 (0.52) HPGDALDH1A1MAPTTSHRTDP1
SCHEMBL3375825 0.74 TSHR (0.50) MAPTTP53TSHRTDP1CCNT1
SCHEMBL9440328 0.74 HPGD (0.53) HPGDHSD17B10ALDH1A1MEN1MAPT
SCHEMBL508167 0.74 HPGD (0.53) HPGDHSD17B10ALDH1A1MEN1MAPT
SCHEMBL915260 0.73 KDM4E (0.42) HPGDALDH1A1MAPTACACBCCNT1
SCHEMBL12082470 0.73 CCNT1 (0.40) ALDH1A1MAPTTSHRCCNT1CDK9
Hydrochloric Acid SCHEMBL507244 0.73 HPGD (0.52) HPGDHSD17B10ALDH1A1MEN1MAPT
SCHEMBL9440408 0.72 HPGD (0.54) HPGDHSD17B10ALDH1A1MEN1MAPT
SCHEMBL914036 0.72 IDO1 (0.44) ALDH1A1MAPTKMT2ATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526488-B1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER (US) 1994-11-30 EP disclosed
US-5326905-A Benzylphosphonic acid tyrosine kinase inhibitors PFIZER INC. (US) 1994-07-05 US disclosed
EP-0526488-A1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS. PFIZER (US) 1993-02-10 EP disclosed
WO-1991015495-A1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1991-10-17 WO disclosed