SCHEMBL20193290

SCHEMBL20193290

C=Cc1ccc2cc(OCC(=C)C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 3/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2C P28335 1/20 0.40
GPR174 Q9BXC1 1/20 0.39
PTPN7 P35236 1/20 0.39
MAPT P10636 6/20 0.38
NPSR1 Q6W5P4 4/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 3/20 0.38
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL8010476 0.84 CHRNB2 (0.49) MEN1KMT2AALDH1A1POLBPKM
SCHEMBL3566984 0.83 KMT2A (0.47) MEN1KMT2AALDH1A1POLBPKM
SCHEMBL2608055 0.81 PTPN7 (0.63) MEN1KMT2AALDH1A1L3MBTL1PTPN7
SCHEMBL2608056 0.80 PTGS2 (0.57) MEN1KMT2AALDH1A1HTR2CPTPN7
SCHEMBL14957533 0.80 KMT2A (0.51) MEN1KMT2AALDH1A1POLBPKM
SCHEMBL30276927 0.80 PTPN7 (0.61) MEN1KMT2AALDH1A1POLBGPR174
SCHEMBL8430491 0.80 PTPN7 (0.61) MEN1KMT2AALDH1A1POLBGPR174
SCHEMBL3625535 0.80 RELA (0.50) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL10204628 0.77 CA1 (0.46) ALDH1A1MAPK1KDM4ERECQLCHRNB2
SCHEMBL283100 0.77 TRPA1 (0.39) HTR2CMAPTTRPA1CHRNB2CHRNB4

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-9982194-B2 Liquid-crystalline media MERECK PATENT GMBH (DE) 2018-05-29 US disclosed