SCHEMBL20202284

SCHEMBL20202284

C=C(C)C(=O)Oc1cc(-c2ccc(CC)c(O)c2)ccc1CC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.41
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ELANE P08246 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CFD P00746 1/20 0.33
HTT P42858 1/20 0.33
GRK6 P43250 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 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
SCHEMBL20202282 0.92 HSD17B1 (0.39) HSD17B1POLBMAPTELANECFD
SCHEMBL20202283 0.83 NCEH1 (0.33) HSD17B1POLBHTT
SCHEMBL15495894 0.81 CAMK2A (0.39) HSD17B1ELANEKMT2AATM
SCHEMBL20202288 0.81 THRB (0.43) HSD17B1ESR1ESR2HTTALOX5
SCHEMBL15495947 0.80 ELANE (0.46) POLBMAPTELANEHTTKMT2A
SCHEMBL16528083 0.77 HSD17B1 (0.50) HSD17B1NPC1POLBMAPTRAB9A
SCHEMBL15329543 0.76 CFD (0.46) MAPTRAB9AELANECFDPTGS1
SCHEMBL23568202 0.75 HSD17B10 (0.52) NPC1POLBMAPTRAB9AELANE
SCHEMBL22072446 0.75 ALOX15 (0.40) HSD17B1CFDALOX5PTGS1
SCHEMBL15338874 0.74 CFD (0.44) MAPTRAB9AELANECFDKMT2A

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-20180157174-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-06-07 US disclosed
US-20180149975-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-05-31 US disclosed