SCHEMBL9467640

SCHEMBL9467640

CCCc1cc(I)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
HMGCR P04035 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ESR1 P03372 5/20 0.42
ESR2 Q92731 5/20 0.42
PRKCI P41743 1/20 0.42
ERN1 O75460 1/20 0.39
BACE1 P56817 1/20 0.39
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
HIF1A Q16665 1/20 0.37
TYR P14679 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL15586578 0.88 TYR (0.52) ALOX5CNR1CNR2ESR1ESR2
SCHEMBL11587871 0.85 TYR (0.54) ALOX5ESR1LMNAMAPTHIF1A
SCHEMBL2052536 0.83 ESR1 (0.53) ESR1ESR2PRKCIERN1BACE1
SCHEMBL14220741 0.80 IDO1 (0.34) ALOX5HMGCRCNR1CNR2PRKCI
SCHEMBL26586630 0.79 ERN1 (0.39) ALOX5ERN1BACE1LMNAMAPT
SCHEMBL30014025 0.78 ESR1 (0.55) ALOX5HMGCRCNR1CNR2ESR1
SCHEMBL70464 0.78 ESR1 (0.55) ALOX5HMGCRCNR1CNR2ESR1
SCHEMBL5127450 0.78 ALOX5 (0.68) ALOX5HMGCRCNR1CNR2ESR1
SCHEMBL30250904 0.78 ALOX5 (0.68) ALOX5HMGCRCNR1CNR2ESR1
SCHEMBL26123823 0.78 HIF1A (0.54) ESR1ESR2ERN1PTPN1LMNA

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
US-5260294-A Treatment of diseases caused by oxidative metabolism of arachidonic acid; antiinflammatory, antiallergins, antiarthriric HOFFMAN-LA ROCHE INC. (US) 1993-11-09 US disclosed
US-5015661-A Lipoxygenase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-05-14 US disclosed