SCHEMBL8638685

SCHEMBL8638685

CCn1ccc(=O)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
TYR P14679 1/20 0.38
DOHH Q9BU89 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ABCC4 O15439 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.35
RECQL P46063 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
SCHEMBL7019137 0.86 KDM5A (0.38) KDM4ETYRDOHHKMT2ALMNA
SCHEMBL4773904 0.77 CA12 (0.43) KDM4ETYRDOHHKMT2ACA12
SCHEMBL3463544 0.75 CA12 (0.44) KDM4EDOHHKMT2ALMNAPKM
SCHEMBL969727 0.75 AKR1B1 (0.46) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL4773772 0.75 ALDH1A1 (0.39) KDM4ETYRDOHHKMT2ALMNA
SCHEMBL28200636 0.75 ALDH1A1 (0.39) KDM4ETYRDOHHKMT2ALMNA
SCHEMBL15333147 0.74 NPC1 (0.45) KMT2ACA12CA1CA2CA9
SCHEMBL969676 0.71 NOTUM (0.39) KDM4EKMT2ALMNAMEN1ABCC4
SCHEMBL4770346 0.70 CPB2 (0.33) CA12CA1CA2CA9
SCHEMBL21098141 0.70 ALDH1A1 (0.39) KDM4EKMT2ALMNAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433206-B Compounds of formula (I) 葛兰素史克知识产权开发有限公司 2023-07-07 CN disclosed
EP-0855183-A2 Manufacture of taste-masked preparations of antibacterial quinolone derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-29 EP disclosed
CN-1188646-A Preparation of concealed taste preparations of antibucterially active quinlone derivatives HOECHST AG (DE) 1998-07-29 CN disclosed
US-4621088-A N-acyl derivatives of amino acids and their esters, and drugs in which they are present PANMEDICA (FR) 1986-11-04 US disclosed
US-4291035-A SHOW A SYNERGISTIC EFFECT IN THE TREATMENT OF BACTERIAL INFECTIONS OF THE URINARY TRACT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1981-09-22 US disclosed
US-4291035-A SHOW A SYNERGISTIC EFFECT IN THE TREATMENT OF BACTERIAL INFECTIONS OF THE URINARY TRACT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1981-09-22 US disclosed
US-4291035-A SHOW A SYNERGISTIC EFFECT IN THE TREATMENT OF BACTERIAL INFECTIONS OF THE URINARY TRACT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1981-09-22 US disclosed