SCHEMBL9747637

SCHEMBL9747637

CCCc1ccc(CO)cc1CCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
VDR P11473 2/20 0.40
ALOX5 P09917 2/20 0.40
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
EGFR P00533 1/20 0.37
BACE1 P56817 1/20 0.36
PRKCI P41743 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35
TYR P14679 1/20 0.34
HMGCR P04035 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ACVRL1 P37023 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
SCHEMBL14922851 0.92 BACE1 (0.42) CNR1CNR2VDRALOX5LPL
SCHEMBL36001 0.89 TP53 (0.49) ALOX5LPLLIPGEGFRLMNA
SCHEMBL11720734 0.85 CNR1 (0.48) CNR1CNR2VDRALOX5LPL
SCHEMBL26239642 0.84 TP53 (0.51) ALOX5LPLLIPGEGFRLMNA
SCHEMBL9740304 0.84 CNR1 (0.50) CNR1CNR2ALOX5LPLLIPG
SCHEMBL4763467 0.83 VDR (0.44) CNR1CNR2VDRALOX5LPL
SCHEMBL5372926 0.83 ALOX5 (0.57) CNR1CNR2ALOX5BACE1PRKCI
SCHEMBL16954455 0.83 VDR (0.41) CNR1CNR2VDRALOX5LPL
SCHEMBL16951823 0.82 CNR2 (0.37) CNR1CNR2VDRALOX5LPL
SCHEMBL16952436 0.82 CYP4F2 (0.41) CNR1CNR2VDRALOX5LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149884-A Oxidative dehydrogenation of aromatic or aliphatic alcohols in gas phase BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
EP-0244632-B1 TUBE BUNDLE REACTOR, ITS USE IN EXOTHERMAL ORGANIC REACTIONS AND PROCESS FOR THE PREPARATION OF KETONES AND ALDEHYDES BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed
EP-0244632-A2 Tube bundle reactor, its use in exothermal organic reactions and process for the preparation of ketones and aldehydes BASF Aktiengesellschaft (DE) 1987-11-11 EP disclosed
EP-0004881-B1 PROCESS FOR THE PREPARATION OF AROMATIC AND ARALIPHATIC ALDEHYDES BASF Aktiengesellschaft (DE) 1981-10-07 EP disclosed
US-4224254-A OXIDATION OF AROMATIC ALCOHOLS, SILVER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1980-09-23 US disclosed
EP-0004881-A2 Process for the preparation of aromatic and araliphatic aldehydes BASF Aktiengesellschaft (DE) 1979-10-31 EP disclosed