SCHEMBL8964689

SCHEMBL8964689

C=C(F)Cc1ccc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
MAPT P10636 6/20 0.57
HIF1A Q16665 4/20 0.57
HSD17B10 Q99714 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
GAA P10253 3/20 0.57
THPO P40225 3/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 3/20 0.57
BLM P54132 3/20 0.57
PMP22 Q01453 3/20 0.57
APEX1 P27695 2/20 0.57
POLB P06746 2/20 0.57
NFKB1 P19838 2/20 0.57
RGS12 O14924 1/20 0.57
TSHR P16473 1/20 0.57
GNAI1 P63096 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56

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
SCHEMBL9808540 0.84 APP (0.54) KDM4EMAPTHIF1AHSD17B10TDP1
SCHEMBL8964628 0.83 CYP17A1 (0.42) KDM4EMAPTHIF1AHSD17B10TDP1
SCHEMBL368973 0.82 KDM4E (0.63) KDM4EMAPTHIF1AHSD17B10TDP1
SCHEMBL8964697 0.81 ESR1 (0.61) KDM4EMAPTHIF1AHSD17B10TDP1
SCHEMBL29457181 0.80 ALOX15 (0.56) KDM4EMAPTHIF1AHSD17B10TDP1
SCHEMBL9750653 0.80 ALOX15 (0.56) KDM4EMAPTHIF1AHSD17B10TDP1
SCHEMBL8964691 0.78 GABRA1 (0.38) KDM4EMAPTHIF1AHSD17B10TDP1
SCHEMBL8964679 0.77 CDK1 (0.39) KDM4EMAPTHIF1AHSD17B10TDP1
SCHEMBL22982989 0.74 KDM4E (0.72) KDM4EMAPTHIF1AHSD17B10TDP1
SCHEMBL10414022 0.74 TRPA1 (0.60) KDM4EMAPTHIF1AHSD17B10TDP1

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
US-5068465-A Hypotensive agents or enzyme inhibitors for treatment of hypertension MERRELL DOW PHARMACEUTICALS INC. (US) 1991-11-26 US claimed
EP-0410379-B1 Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins MERRELL DOW PHARMA (US) 1996-01-31 EP disclosed
US-5068465-A Hypotensive agents or enzyme inhibitors for treatment of hypertension MERRELL DOW PHARMACEUTICALS INC. (US) 1991-11-26 US disclosed
US-4981868-A ENZYME INHIBITORS, HYPOTENSIVES MERRELL DOW PHARMACEUTICAL (US) 1991-01-01 US disclosed