SCHEMBL24006333

SCHEMBL24006333

CCN1CCC(=O)c2cc(C)c(O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ G6PD P11413 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32

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
SCHEMBL21886547 0.84 HSP90AA1 (0.32) KMT2AKDM4EALDH1A1MAPTPKM
SCHEMBL18659841 0.77 ESR1 (0.38) KMT2AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8487393 0.76 NOTUM (0.34) ALDH1A1MAPTHPGDNOTUMPRMT5
SCHEMBL8312242 0.72 RXRA (0.34) HSP90AA1NOTUMPRMT5WDR77
SCHEMBL3009382 0.71 CASP3 (0.41) NOTUM
SCHEMBL28182834 0.71 POLB (0.49) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL20862224 0.70 MAPT (0.47) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL29803467 0.68 NOTUM (0.40) NOTUM
SCHEMBL107921 0.68 NOTUM (0.40) NOTUM
SCHEMBL21886538 0.68 TNF (0.39) ALDH1A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692102-B1 HIGH WET FAST DISPERSE DYE MIXTURES DYSTAR COLOURS DISTRIB GMBH (DE) 2021-11-10 — — EP disclosed
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