SCHEMBL27909784

SCHEMBL27909784

C=CC(=O)Oc1ccc2c(c1)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.54
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 1/20 0.45
MAOB P27338 4/20 0.44
MAOA P21397 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL12216197 0.90 LMNA (0.56) TRPV1TSHRLMNAGAARAB9A
SCHEMBL28643781 0.83 GRM5 (0.42) TRPV1TSHRKMT2AKDM4ESMN1; SMN2
SCHEMBL4340762 0.81 TSHR (0.59) TRPV1TSHRLMNAGAARAB9A
SCHEMBL3876644 0.81 KMT2A (0.62) TRPV1TSHRLMNAGAARAB9A
SCHEMBL12216202 0.80 CTNNB1 (0.45) TRPV1KMT2AKDM4ESMN1; SMN2POLB
SCHEMBL27854530 0.79 TSHR (0.56) TRPV1TSHRLMNAGAARAB9A
SCHEMBL12216209 0.79 GRM5 (0.51) TRPV1RAB9AKMT2ANPC1MAOB
SCHEMBL14959931 0.77 KDM4E (0.61) TRPV1TSHRLMNAGAARAB9A
SCHEMBL14959934 0.77 KDM4E (0.61) TRPV1TSHRLMNAGAARAB9A
SCHEMBL10512935 0.77 TYMS (0.43) LMNAKMT2APKMMEN1MAOB

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
CN-103201279-A Compounds useful as modulators of TRPM8 SENOMYX INC 2013-07-10 CN disclosed