SCHEMBL30228467

SCHEMBL30228467

Cc1ccccc1-c1cc(=O)oc2cc([C@@H](C)CC(=O)N3CCC[C@H](C(=O)O)C3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ HPGD P15428 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ EIF4H Q15056 1/20 0.39
▸ CTDSP1 Q9GZU7 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
SCHEMBL31710963 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL30228046 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL31711268 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL30228062 0.91 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL30228133 0.89 KCNA3 (0.42) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL28897248 0.84 CYP3A4 (0.41) ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E
SCHEMBL28438857 0.84 CYP3A4 (0.41) ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E
SCHEMBL28434585 0.84 CYP3A4 (0.41) ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E
SCHEMBL28440360 0.84 CYP3A4 (0.41) ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E
SCHEMBL31710619 0.83 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2RAB9AKDM4E

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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