SCHEMBL6565722

SCHEMBL6565722

CC(C)(C)CCCC=O.[AlH3]

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
TSHR P16473 2/20 0.46
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.33
ACLY P53396 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1784079 0.97
SCHEMBL22657401 0.94 HIF1A (0.47) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL28092393 0.94 HIF1A (0.47) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL28645216 0.94 HIF1A (0.47) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL231505 0.94 HIF1A (0.47) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL2747826 0.94 HIF1A (0.47) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL29135628 0.90 HIF1A (0.43) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL1784550 0.89 TSHR (0.48) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL1783238 0.86 TSHR (0.52) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL16491137 0.86 TSHR (0.52) HIF1ATSHRFAAHTRPV1ALDH1A1

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-1453868-A2 COORDINATION CATALYST SYSTEMS EMPLOYING CHROMIUM SUPPORT-AGGLOMERATE AND METHOD OF THEIR PREPARATION W. R. Grace & Co.-Conn (US) 2004-09-08 EP disclosed
EP-1399491-A1 SUPPORTED DUAL TRANSITION METAL CATALYST SYSTEMS W.R. Grace & Co.-Conn. (US) 2004-03-24 EP disclosed
WO-2002102859-A2 COORDINATION CATALYST SYSTEMS EMPLOYING CHROMIUM SUPPORT-AGGLOMERATE AND METHOD OF THEIR PREPARATION W. R. GRACE & CO.-CONN. (US) 2002-12-27 WO disclosed
WO-2002088200-A1 SUPPORTED DUAL TRANSITION METAL CATALYST SYSTEMS W.R. GRACE & CO.-CONN. (US) 2002-11-07 WO disclosed