SCHEMBL9602719

SCHEMBL9602719

[NH]CCCCc1ccco1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
USP2 O75604 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
HPGD P15428 1/20 0.56
CHRM2 P08172 1/20 0.41
KCNH3 Q9ULD8 1/20 0.39
EPHX2 P34913 3/20 0.37
MAPK1 P28482 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL1493206 0.93
SCHEMBL7094868 0.89 ALDH1A1 (0.67) ALDH1A1USP2TDP1CYP3A4ALOX15
SCHEMBL7093157 0.86 ALDH1A1 (0.70) ALDH1A1USP2TDP1CYP3A4ALOX15
SCHEMBL2985930 0.84
SCHEMBL11060991 0.84 ALDH1A1 (0.61) ALDH1A1USP2TDP1CYP3A4ALOX15
SCHEMBL921220 0.80 ALDH1A1 (0.63) ALDH1A1USP2TDP1CYP3A4ALOX15
SCHEMBL24478868 0.78 ALDH1A1 (0.56) ALDH1A1USP2TDP1CYP3A4ALOX15
SCHEMBL221257 0.78 ALDH1A1 (0.56) ALDH1A1USP2TDP1CYP3A4ALOX15
SCHEMBL3392080 0.78 ALDH1A1 (0.67) ALDH1A1USP2TDP1CYP3A4ALOX15
SCHEMBL3839583 0.78 ALDH1A1 (0.56) ALDH1A1USP2TDP1CYP3A4ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed