SCHEMBL30227919

SCHEMBL30227919

Cc1cc(O[C@H](C)C(=O)N2CCCCC2)c2c(-c3ccc(F)cc3)cc(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.53
▸ HPGD P15428 6/20 0.53
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PTGS2 P35354 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL30228279 0.89 ALDH1A1 (0.48) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL31711159 0.89 ALDH1A1 (0.48) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL30228191 0.86 MAPT (0.55) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL30231689 0.85 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL30227915 0.84 ALDH1A1 (0.64) ALDH1A1HPGDKMT2AKDM4EMAPT
SCHEMBL30228252 0.82 ALDH1A1 (0.57) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL30228241 0.82 ALDH1A1 (0.57) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL5332450 0.75 ALDH1A1 (0.78) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL31089723 0.73 ALDH1A1 (0.58) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL30360852 0.72 CYP3A4 (0.62) ALDH1A1HPGDKMT2AMEN1KDM4E

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-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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