SCHEMBL11867740

SCHEMBL11867740

O=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)c3ccc(Cl)cc3)[C@H]2SC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ MAPT P10636 7/20 0.49
▸ HSD17B10 Q99714 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ SLC15A2 Q16348 2/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ BLM P54132 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ CYP2C19 P33261 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
SCHEMBL11867748 1.00 ALDH1A1 (0.49) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11858380 0.89 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11858387 0.89 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11011083 0.87 MAPT (0.48) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11011087 0.87 MAPT (0.48) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11712300 0.85 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11878408 0.85 ALDH1A1 (0.61) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11878417 0.85 ALDH1A1 (0.61) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11712290 0.85 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL10985728 0.83 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10KMT2AKDM4E

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
US-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 — — US disclosed
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