SCHEMBL11116300

SCHEMBL11116300

CCc1cc(CC)c(O)c(CC=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ERN1 O75460 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
MAOB P27338 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL29249591 0.86 MEN1 (0.42) MEN1KMT2AKDM4ECYP1A2MAPT
SCHEMBL17377707 0.78 GABRA1 (0.43) MEN1KMT2AGABRA1GABRB2CYP1A2
SCHEMBL5200570 0.76 MEN1 (0.40) MEN1KMT2AKDM4EGABRA1GABRB2
SCHEMBL28318019 0.75 MAOB (0.39) MAOB
SCHEMBL5165075 0.75 MEN1 (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL25328782 0.75 GABRA1 (0.42) MEN1KMT2AKDM4EGLAGAA
SCHEMBL31092542 0.75 GABRA1 (0.42) MEN1KMT2AKDM4EGLAGAA
SCHEMBL5786389 0.74 HTT (0.42) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL31092541 0.73 GABRA1 (0.41) MEN1KMT2AKDM4EGLAGAA
SCHEMBL25327893 0.73 GABRA1 (0.41) MEN1KMT2AKDM4EGLAGAA

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-0104018-A2 Benzopyran, benzothiapyran and quinoline compounds and pharmaceutical compositions containing them FISONS plc (GB) 1984-03-28 EP disclosed