SCHEMBL23239804

SCHEMBL23239804

C=C1C=Cc2c(ccc3ccccc23)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
GLA P06280 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL18893130 0.72 KDM4E (0.42) CA12CA9HSD17B10KDM4EMAPT
SCHEMBL28623276 0.70 CA12 (0.43) CA12CA9ALDH1A1HSD17B10CYP2A6
SCHEMBL820429 0.69 CA12 (0.49) CA12CA9ALDH1A1HSD17B10CYP2A6
SCHEMBL31488657 0.69 CA12 (0.49) CA12CA9ALDH1A1HSD17B10CYP2A6
SCHEMBL29014765 0.69 CA12 (0.45) CA12CA9ALDH1A1HSD17B10CYP2A6
SCHEMBL16284294 0.68 MAPT (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5913910 0.68 ALDH1A1 (0.55) CA12CA9ALDH1A1HSD17B10CYP2A6
SCHEMBL7743584 0.68 CA12 (0.47) CA12CA9ALDH1A1HSD17B10CYP2A6
SCHEMBL141092 0.68 CA12 (0.47) CA12CA9ALDH1A1HSD17B10CYP2A6
SCHEMBL1041972 0.68 CA12 (0.47) CA12CA9ALDH1A1HSD17B10CYP2A6

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
WO-2021070152-A1 COUMARIN GLYOXYLATES FOR LED PHOTOCURING IGM RESINS ITALIA S.R.L. (IT) 2021-04-15 WO disclosed