SCHEMBL3807239

SCHEMBL3807239

C=CC(C=Cc1ccccc1)OC(C=C)C=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.41
MAOB P27338 2/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.37
TRPA1 O75762 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NFE2L2 Q16236 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAOA P21397 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
IDO1 P14902 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
SCHEMBL9650238 0.87 MAOB (0.48) MEN1KMT2AALDH1A1MAOBCYP1A2
SCHEMBL9650244 0.87 MAOB (0.48) MEN1KMT2AALDH1A1MAOBCYP1A2
SCHEMBL27553651 0.77 TDP1 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL6837422 0.76 CYP1A2 (0.48) MEN1KMT2AALDH1A1MAOBTSHR
SCHEMBL6716428 0.74 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAOBTSHR
SCHEMBL34468220 0.73 CYP2C19 (0.43) MEN1KMT2AALDH1A1TSHRCYP1A2
SCHEMBL721933 0.73 LMNA (0.42) MEN1KMT2AALDH1A1MAOBCYP1A2
1,6-Hexanediol SCHEMBL9652650 0.73 CYP1A2 (0.40) MEN1KMT2AMAOBCYP1A2IDO1
1,6-Hexanediol SCHEMBL9652641 0.73 CYP1A2 (0.40) MEN1KMT2AMAOBCYP1A2IDO1
SCHEMBL13759882 0.72 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAOBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8668981-B2 High temperature shape memory polymer via reactive extrusion SPIRIT AEROSYSTEMS, INC. (US) 2014-03-11 US disclosed
US-20120123060-A1 HIGH TEMPERATURE SHAPE MEMORY POLYMER VIA REACTIVE EXTRUSION SPIRIT AEROSYSTEMS, INC. (US) 2012-05-17 US disclosed
US-5310792-A Engineering thermoplastics NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1994-05-10 US disclosed
EP-0493814-A2 ABS-Type thermoplastic resin composition and method for producing the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-07-08 EP disclosed
EP-0493811-A2 Improved thermoplastic resin composition and method for producing the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-07-08 EP disclosed