SCHEMBL30231784

SCHEMBL30231784

COc1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.67
▸ ALDH1A1 P00352 8/20 0.67
▸ HPGD P15428 5/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ KCNA3 P22001 2/20 0.56
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MAOA P21397 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA3 P07451 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA5A P35218 1/20 0.53

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
SCHEMBL14424527 0.88 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL30231961 0.85 MAPT (0.56) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL14424530 0.83 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL30231545 0.83 MAPT (0.57) KDM4EALDH1A1HPGDHSD17B10KCNA3
SCHEMBL12227473 0.83 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL14997043 0.83 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL30231614 0.82 HPGD (0.60) KDM4EALDH1A1HPGDKCNA3NPC1
SCHEMBL30231555 0.82 IGLV6-57 (0.57) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL20839139 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL30763276 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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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