SCHEMBL30231689

SCHEMBL30231689

Cc1cc(O[C@H](C)C(=O)N2CCCCC2)cc2oc(=O)cc(-c3ccc(F)cc3)c12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ RECQL P46063 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL30227919 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL30231670 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL30231669 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL30231646 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL30231686 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMAPTRECQL
SCHEMBL30360852 0.80 CYP3A4 (0.62) ALDH1A1KDM4EHPGDL3MBTL1CYP3A4
SCHEMBL31089779 0.76 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDL3MBTL1CYP3A4
SCHEMBL21629566 0.76 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDL3MBTL1CYP3A4
SCHEMBL31711159 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL20839474 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDL3MBTL1CYP3A4

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