SCHEMBL9737859

SCHEMBL9737859

CC(CC(=O)O)c1ncccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
PTPRA P18433 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
ADAMTS4 O75173 1/20 0.34

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
SCHEMBL1209089 0.77 CYP1A2 (0.51) FFAR1MEN1RAB9AKMT2AALDH1A1
SCHEMBL25152686 0.77 CYP1A2 (0.51) FFAR1MEN1RAB9AKMT2AALDH1A1
SCHEMBL28659666 0.77 PTPRA (0.39) ALDH1A1CYP1A2KDM4EMAPTPTPRA
SCHEMBL22092259 0.76 LMNA (0.45) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL16151353 0.75 KMT2A (0.40) KMT2AALDH1A1CYP1A2KDM4EMAPT
SCHEMBL25152913 0.74 CYP2D6 (0.39) ALDH1A1TSHRCYP1A2KDM4E
SCHEMBL17061189 0.73 CTSA (0.45) FFAR1CYP1A2KDM4EMAPTFFAR4
SCHEMBL453189 0.73 HDAC8 (0.33) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL453190 0.73 TRPA1 (0.34) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL20472673 0.73 TRPA1 (0.34) MEN1NPC1RAB9AKMT2AALDH1A1

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
US-5162550-A BISPHTHALIDE LACTONES, THEIR PREPARATION AND THE USE THEREOF IN RECORDING MATERIALS CIBA-GEIGY CORPORATION (US) 1992-11-10 US disclosed