SCHEMBL11002147

SCHEMBL11002147

Oc1ccc(C2CCCCC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.53
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
NUDT1 P36639 1/20 0.42
BACE1 P56817 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HDAC3 O15379 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MAPT P10636 2/20 0.40
MPI P34949 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
SCHEMBL11007946 0.98 IDO1 (0.52) IDO1ESR1ESR2ALDH1A1CYP1A2
SCHEMBL13004751 0.92 ESR1 (0.47) IDO1ESR1ESR2ALDH1A1CYP1A2
SCHEMBL28835351 0.90 IDO1 (0.56) IDO1ESR1ESR2CYP1A2HSD17B10
SCHEMBL13004839 0.90 IDO1 (0.56) IDO1ESR1ESR2CYP1A2HSD17B10
SCHEMBL6348968 0.84 NUDT1 (0.40) IDO1ESR1ESR2ALDH1A1CYP1A2
SCHEMBL28710828 0.83 IDO1 (0.48) IDO1ESR1ESR2ALDH1A1CYP1A2
SCHEMBL6346108 0.81 PTPN22 (0.38) IDO1ALDH1A1CYP1A2HSD17B10CYP2D6
SCHEMBL19284595 0.81 HTR6 (0.54) IDO1
SCHEMBL13004840 0.81 HSD17B10 (0.55) IDO1ESR1ESR2ALDH1A1CYP1A2
SCHEMBL30735565 0.81 HTR6 (0.54) IDO1

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
US-20100316950-A1 COMPOSITION FOR FORMING BASE FILM FOR LITHOGRAPHY AND METHOD FOR FORMING MULTILAYER RESIST PATTERN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-12-16 US disclosed
US-20100316950-A1 COMPOSITION FOR FORMING BASE FILM FOR LITHOGRAPHY AND METHOD FOR FORMING MULTILAYER RESIST PATTERN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-12-16 US disclosed
US-4499000-A Power-transmission method uses spirocyclic ketals BAYER AKTIENGESELLSCHAFT (DE) 1985-02-12 US disclosed
US-4460681-A COLOR FORMING LAYERS, AND SOLVENT SOLUBLE BARRIE LAYERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-07-17 US disclosed
EP-0047448-B1 HYDRAULIC FLUID BAYER AG (DE) 1983-09-21 EP disclosed
EP-0047448-A2 Hydraulic fluid BAYER AG (DE) 1982-03-17 EP disclosed
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 US disclosed