SCHEMBL21547591

SCHEMBL21547591

C=C(C)Cc1cc(Cc2ccccc2)cc(CC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MTNR1A P48039 2/20 0.40
LTA4H P09960 1/20 0.39
PTPN1 P18031 2/20 0.38
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
CNR2 P34972 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MTNR1B P49286 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DHFR P00374 1/20 0.36
IDH1 O75874 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL21547610 0.81 PTPN1 (0.48) LMNAPTPN1PTPN2PTPN6DHFR
SCHEMBL21547595 0.81 LTA4H (0.35) LMNAMTNR1ALTA4HPTPN1PTPN2
SCHEMBL21547586 0.80 ELANE (0.34) LMNAMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL21547590 0.78 ELANE (0.39) LMNAMTNR1ACNR2MTNR1BKDM4E
SCHEMBL21547575 0.77 ACHE (0.35) KDM4EALDH1A1DHFRMEN1KMT2A
SCHEMBL21547607 0.77 GABRA1 (0.35) DHFRKMT2A
SCHEMBL2097755 0.77 LTA4H (0.53) LMNALTA4HPTPN1PTPN2PTPN6
SCHEMBL10600372 0.76 MAPT (0.50) LMNALTA4HPTPN1PTPN2PTPN6
SCHEMBL21547604 0.74 CYP2C19 (0.33) ELANE
SCHEMBL5881884 0.72 LMNA (0.40) LMNAPTPN1KDM4EALDH1A1

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
EP-2616513-B1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECH CO (SA) 2019-11-06 EP disclosed