SCHEMBL27301045

SCHEMBL27301045

COc1ccc(C(=O)C(C)=Cc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.64
CES1 P23141 2/20 0.64
MAPT P10636 6/20 0.58
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
HSPD1 P10809 1/20 0.56
TNFRSF1A P19438 1/20 0.56
MAOB P27338 1/20 0.56
HSPE1 P61604 1/20 0.56
CYP1B1 Q16678 1/20 0.56
AKR1C3 P42330 1/20 0.53
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
PAX8 Q06710 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL15304532 0.92 CES2 (0.62) CES2CES1MAPTALDH1A1MAOB
SCHEMBL9852307 0.85 CES2 (0.66) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL2455413 0.84 CES2 (0.53) CES2CES1MAPTALDH1A1MAOB
SCHEMBL2455411 0.84 CES2 (0.53) CES2CES1MAPTALDH1A1MAOB
SCHEMBL6064618 0.84 AKR1C3 (0.67) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL11407221 0.84 AKR1C3 (0.67) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL351852 0.84 AKR1C3 (0.67) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL27323920 0.83 CES2 (0.63) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL27977334 0.83 CES2 (0.67) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL5697760 0.82 NQO2 (0.56) MAPTALDH1A1CYP1B1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036276-A Make the method for erect image and negative-appearing image with the static main leaf of photo-hardening DU PONT (US) 1989-10-11 CN disclosed