SCHEMBL15225013

SCHEMBL15225013

CC1(c2ccc(OC#N)cc2)CCCCC1c1ccc(OC#N)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 4/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A2 P23975 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
USP2 O75604 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL15224745 0.96 POLA1 (0.33) POLA1SLC6A4SLC6A3KDM4EMEN1
SCHEMBL36554 0.76 ESR2 (0.45) HSD17B10
SCHEMBL10528665 0.76 LIG1 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL1248050 0.72 KDM1A (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL9557833 0.72 CYP3A4 (0.33) TSHRCYP3A4
SCHEMBL9558199 0.71 RXRA (0.44) KMT2A
SCHEMBL15224663 0.70 ESR1 (0.47) SLC6A4SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL29091934 0.70 HRH3 (0.41) MEN1ALDH1A1MAPTKMT2AGAA
SCHEMBL918042 0.69 ESR1 (0.48) SLC6A4SLC6A3SLC6A2KDM4EALDH1A1
SCHEMBL918552 0.69 ESR1 (0.48) SLC6A4SLC6A3SLC6A2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453126-B2 Cyanate ester compound, curable resin composition containing cyanate ester compound, and cured product thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-09-27 US claimed
US-9453126-B2 Cyanate ester compound, curable resin composition containing cyanate ester compound, and cured product thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-09-27 US disclosed
US-20140242394-A1 CURABLE RESIN COMPOSITION AND METHOD FOR MANUFACTURING CURED PRODUCT USING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-08-28 US disclosed
EP-2733159-A1 CURABLE RESIN COMPOSITION AND PROCESS FOR PRODUCING CURED PRODUCTS USING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2014-05-21 EP disclosed
US-20130281640-A1 CYANATE ESTER COMPOUND, CURABLE RESIN COMPOSITION CONTAINING CYANATE ESTER COMPOUND, AND CURED PRODUCT THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-10-24 US disclosed
EP-2634205-A1 CYANATE ESTER COMPOUND, CURABLE RESIN COMPOSITION CONTAINING CYANATE ESTER COMPOUND, AND CURED PRODUCT THEREOF Mitsubishi Gas Chemical Company, Inc. (JP) 2013-09-04 EP disclosed