SCHEMBL8318520

SCHEMBL8318520

COc1cc(CN[C@@H]2CCCC[C@H]2NCc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SHBG P04278 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
FOS P01100 1/20 0.49
TTR P02766 1/20 0.49
JUN P05412 1/20 0.49
NR3C1 P04150 1/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 2/20 0.48
SSTR3 P32745 1/20 0.48
MEN1 O00255 1/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL8317016 0.86 KDM1A (0.62) KDM4EALDH1A1KMT2ASSTR3MEN1
SCHEMBL8313921 0.86 KDM1A (0.62) KDM4EALDH1A1KMT2ASSTR3MEN1
SCHEMBL8315784 0.86 KDM1A (0.62) KDM4EALDH1A1KMT2ASSTR3MEN1
SCHEMBL139478 0.81 ERCC1 (0.58) SSTR3ALOX15
SCHEMBL8231045 0.81 ERCC1 (0.58) SSTR3ALOX15
SCHEMBL108594 0.81 ERCC1 (0.58) SSTR3ALOX15
SCHEMBL13984321 0.79 ERCC1 (0.42) TRPV1KMT2ASSTR3MEN1
SCHEMBL16463823 0.79 FOS (0.49) KDM4EALDH1A1SHBGTAAR1TSHR
SCHEMBL8317756 0.78 ALDH1A1 (0.81) KDM4EALDH1A1TSHRLMNAKMT2A
SCHEMBL11969383 0.77 TAAR1 (0.62) KDM4EALDH1A1TAAR1TSHRMAPK1

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
EP-0787716-B1 Isoprene derivatives NISSHIN FLOUR MILLING CO (JP) 1999-12-08 EP disclosed
US-5756475-A POLYISOPRENE MODIFIED WITH AMINE WITH ANTICANCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-26 US disclosed
EP-0787716-A1 Isoprene derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-08-06 EP disclosed