SCHEMBL10459583

SCHEMBL10459583

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
POLB P06746 1/20 0.61
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61
PMP22 Q01453 1/20 0.60
KCNH2 Q12809 3/20 0.60
TOP1 P11387 4/20 0.59
TOP2A P11388 12/20 0.55
TOP2B Q02880 10/20 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
SCHEMBL4369381 0.94 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL8699900 0.92 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL8566204 0.91 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL4366154 0.90 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL4372305 0.90 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL4372308 0.90 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL4366156 0.90 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL4366152 0.90 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL10765055 0.90 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL10401542 0.89 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4894458-A BACTERICIDES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-01-16 US claimed
CN-87101984-A Carbostyril carboxylic acid derivatives and preparation method thereof 1987-10-07 CN claimed
EP-0237955-A2 Quinolonecarboxylic acid derivatives and their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 EP claimed
US-4894458-A BACTERICIDES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-01-16 US disclosed
EP-0237955-A2 Quinolonecarboxylic acid derivatives and their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 EP disclosed