SCHEMBL30231641

SCHEMBL30231641

CCCOc1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA6 P23280 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ CA14 Q9ULX7 2/20 0.49
▸ CA5B Q9Y2D0 2/20 0.49
▸ CA5A P35218 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL20847991 0.79 ALDH1A1 (0.57) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL30360979 0.79 ALDH1A1 (0.57) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL30762863 0.79 ALDH1A1 (0.57) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL20839167 0.79 ALDH1A1 (0.57) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL30228096 0.78 CA12 (0.48) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL20839359 0.78 ALDH1A1 (0.45) CA12CA9KDM4ESMN1; SMN2ALDH1A1
SCHEMBL20839145 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10AR
SCHEMBL20848064 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10AR
SCHEMBL20839318 0.78 ALDH1A1 (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL30228411 0.78 ALPL (0.43) CA12CA2CA9KDM4ESMN1; SMN2

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
WO-2023034340-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
WO-2023034339-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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