SCHEMBL8089087

SCHEMBL8089087

C1=C(Cc2ccccc2)CC1.CC1=C(O)C(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
PKM P14618 2/20 0.35
IDH1 O75874 3/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
NQO1 P15559 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
SCHEMBL110859 0.77 CALM1 (0.52) CYP1A2TAAR1IDH1ALDH1A1TSHR
SCHEMBL27931008 0.75 CALM1 (0.50) CYP1A2TAAR1IDH1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL28817569 0.75 CALM1 (0.50) MAPK1CYP1A2TAAR1GAAALDH1A1
SCHEMBL28831761 0.75 CALM1 (0.50) CYP1A2TAAR1IDH1ALDH1A1TSHR
SCHEMBL6738847 0.71 TYR (0.39) ALDH1A1KDM4EMAPTBLM
SCHEMBL6428668 0.71 P2RX4 (0.33) PKMALDH1A1THRBKDM4ESMN1; SMN2
SCHEMBL8664468 0.71 P2RX4 (0.33) PKMALDH1A1THRBKDM4ESMN1; SMN2
SCHEMBL9861098 0.71 MAPK1 (0.42) MAPK1CYP1A2CYP2C9HIF1ATAAR1
Acrylic Acid SCHEMBL28891256 0.70 ALDH1A1 (0.37) MAPK1CYP2C9GAAALDH1A1SMN1; SMN2
Orthocresol SCHEMBL6013643 0.69 HSD17B10 (0.38) MAPK1CYP1A2HIF1AGAAALDH1A1

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
US-6085415-A Methods to produce insulated conductive through-features in core materials for electric packaging ORMET CORPORATION (US) 2000-07-11 US disclosed
WO-2000007267-A1 INSULATED CONDUCTIVE THROUGH-FEATURE IN CONDUCTIVE CORE MATERIALS ORMET CORPORATION (US) 2000-02-10 WO disclosed