SCHEMBL8699900

SCHEMBL8699900

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(N)C3)c(F)c21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
KDM4E B2RXH2 3/20 0.71
HPGD P15428 2/20 0.71
HSD17B10 Q99714 2/20 0.71
PMP22 Q01453 1/20 0.70
POLB P06746 1/20 0.63
CHRM2 P08172 1/20 0.63
CHRM1 P11229 1/20 0.63
OPRM1 P35372 1/20 0.63
OPRD1 P41143 1/20 0.63
TOP1 P11387 4/20 0.61
TOP2A P11388 12/20 0.56
TOP2B Q02880 10/20 0.56
PIM1 P11309 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
PIM3 Q86V86 1/20 0.55
CSNK1G1 Q9HCP0 1/20 0.55

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
Hydrochloric Acid SCHEMBL8566204 0.99 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL10459583 0.92 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL10765055 0.91 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9046371 0.91 KDM4E (0.71) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL10401542 0.91 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL10823302 0.89 KDM4E (0.75) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9070334 0.88 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9145601 0.87 KCNH2 (0.69) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL10618833 0.87 KDM4E (0.68) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL10443590 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753658-A FOR TREATMENT OF BACTERIAL INFECTIONS SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
EP-0610896-A1 Quinolonecarboxylic acid derivatives as antibacterials Senju Pharmaceutical Co., Ltd. (JP) 1994-08-17 EP disclosed
EP-0235589-B1 USE OF QUINOLONE AND NAPHTHYRIDINE ANTIBIOTICS FOR THE MANUFACTURE OF OPHTHALMIC MEDICAMENTS WARNER-LAMBERT COMPANY (US) 1992-10-28 EP disclosed
US-4851415-A TOPICAL ADMINISTRATION WARNER-LAMBERT COMPANY (US) 1989-07-25 US disclosed
US-4777175-A (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-10-11 US disclosed
US-4771054-A QUINOLINE CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
EP-0106489-B1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1988-07-27 EP disclosed
EP-0235589-A2 Use of quinolone and naphthyridine antibiotics for the manufacture of ophthalmic medicaments WARNER-LAMBERT COMPANY (US) 1987-09-09 EP disclosed
US-4692454-A Opthalmic use of quinolone antibiotics WARNER-LAMBERT COMPANY (US) 1987-09-08 US disclosed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed
EP-0106489-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1984-04-25 EP disclosed