SCHEMBL18154544

SCHEMBL18154544

[CH2]CC1=C(c2ccccc2)c2ccccc2OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
KMT2A Q03164 2/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
ESR1 P03372 6/20 0.36
ESR2 Q92731 6/20 0.36
MAOB P27338 2/20 0.36
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
NOTUM Q6P988 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL7232014 0.83 THRB (0.40) THRBKMT2AMAPTKDM4EALDH1A1
SCHEMBL7224874 0.83 THRB (0.43) THRBKMT2AMAPTKDM4EALDH1A1
SCHEMBL18161998 0.83 ALDH1A1 (0.40) THRBKMT2AMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL18150270 0.82 THRB (0.39) THRBKMT2AMAPTKDM4EALDH1A1
SCHEMBL7225366 0.81 THRB (0.38) THRBKMT2AMAPTKDM4EALDH1A1
SCHEMBL18150269 0.81 THRB (0.41) THRBKMT2AMAPTKDM4EALDH1A1
SCHEMBL7223146 0.80 AKR1B1 (0.43) THRBKMT2AKDM4EALDH1A1GAA
SCHEMBL20807322 0.80 MTNR1A (0.39) THRBKMT2AMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL18154539 0.80 THRB (0.38) THRBKMT2AMAPTKDM4EALDH1A1
SCHEMBL7232217 0.75 ESR1 (0.44) KMT2AKDM4EALDH1A1GAAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283481-A1 CHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2018-02-21 EP disclosed
WO-2016166239-A1 CHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2016-10-20 WO disclosed