SCHEMBL6013435

SCHEMBL6013435

COC(=O)C1=CC=C(OC)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
CHRM3 P20309 2/20 0.38
LMNA P02545 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
THRB P10828 1/20 0.37
CHRM1 P11229 1/20 0.37
BLM P54132 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
KDM4E B2RXH2 3/20 0.33
TSHR P16473 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 3/20 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
SCHEMBL5906945 0.87 PTPN1 (0.50) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL19240781 0.82 CA1 (0.34) LMNABLMCA1CA2KDM4E
SCHEMBL13256241 0.80 PARP10 (0.35) CA1CA2KDM4EALDH1A1GAA
SCHEMBL13351646 0.80
SCHEMBL12905841 0.79 PTPN1 (0.45) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL23188709 0.78 CYP4A11 (0.37) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL10036725 0.78 PTPN1 (0.44) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL14614628 0.78 PTPN1 (0.44) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL6858231 0.78 PTPN1 (0.55) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL12166924 0.76 PTPN1 (0.43) PTPN1CHRM3LMNACHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210900-A1 Adhesive Material for bonding of glass to glass AL-SHUKRI SALAH MAHDI MAJEED (IQ) 2015-07-30 US disclosed
EP-1638961-A1 HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-29 EP disclosed
WO-2005003124-A1 HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed