SCHEMBL9727176

SCHEMBL9727176

[CH2]C=C1OC(=O)c2cc(OC)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
METAP1 P53582 2/20 0.44
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9727174 1.00 MAOB (0.44) MAOBMETAP1RAB9AMEN1KMT2A
SCHEMBL383503 0.81 CA2 (0.52) MAOBMETAP1RAB9AMEN1KMT2A
SCHEMBL11627151 0.77 CDC25A (0.48) RAB9AMEN1KMT2ANPC1CA2
SCHEMBL11773512 0.75 MAOB (0.63) MAOBRAB9ANPC1PTGS2AURKA
SCHEMBL11773506 0.75 MAOB (0.63) MAOBRAB9ANPC1PTGS2AURKA
SCHEMBL9727301 0.75 PPOX (0.44) METAP1RAB9AKDM4ENPC1CA2
SCHEMBL10591993 0.75 MAOB (0.49) MAOBKDM4ECA2CA1CA4
SCHEMBL9727296 0.75 PPOX (0.44) METAP1RAB9AKDM4ENPC1CA2
SCHEMBL28996362 0.74 KDM4E (0.61) MAOBRAB9AMEN1KMT2AKDM4E
SCHEMBL30395765 0.74 KDM4E (0.61) MAOBRAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5144027-A Cephalosporins, process for producing the same, intermediates thereof and process for producing the intermediates TOYAMA CHEMICAL CO., LTD. (JP) 1992-09-01 US disclosed
US-4717767-A ANTIBIOTICS TOYAMA CHEMICAL CO., LTD. (JP) 1988-01-05 US disclosed
US-4698352-A 4-oxo-1,4-dihydronicotinic acid derivatives, salts thereof, and antibacterial agents containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1987-10-06 US disclosed
US-4673738-A Novel intermediates of cephalosporins and process for producing 7-(substituted or unsubstituted amino)-3-substituted methyl-Δ3 -cephem-4-carboxylic acids HANDI-PAC INC. (US) 1987-06-16 US disclosed
US-4618606-A Antibiotic 7-(thiazolyl)-3-(pyrazinylmethyl) or (pyridazinylmethyl) cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1986-10-21 US disclosed
US-4610983-A N-acyl acidic amino acid diamide derivative, a salt thereof, and an anti-ulcer agent containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1986-09-09 US disclosed