SCHEMBL2114180

SCHEMBL2114180

C=C(C#N)C(=O)Oc1cccc2ccccc12.N#CC(=Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
EGFR P00533 2/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CISD1 Q9NZ45 1/20 0.40
SLC16A3 O15427 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
SLC16A1 P53985 1/20 0.40
GPR35 Q9HC97 1/20 0.40
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL20523573 0.80 EGFR (0.62) KDM4EEGFRALDH1A1CISD1SLC16A3
SCHEMBL5808449 0.80 HSD17B10 (0.51) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL11672675 0.74 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL17005834 0.72 ALDH1A1 (0.48) KDM4ELMNAPKMKMT2AALDH1A1
SCHEMBL5809344 0.72 CYP1A2 (0.46) KDM4EKMT2AALDH1A1HPGDTDP1
SCHEMBL21470204 0.71 ALDH1A1 (0.55) KDM4EPKMKMT2AALDH1A1HPGD
SCHEMBL26081115 0.70 EGFR (0.59) KDM4EEGFRALDH1A1CISD1SLC16A3
SCHEMBL1388796 0.69 MCL1 (0.66) KDM4EEGFRKMT2AALDH1A1HPGD
SCHEMBL15431185 0.69 KDM4E (0.59) KDM4EEGFRKMT2AALDH1A1CISD1
SCHEMBL30856935 0.69 MCL1 (0.66) KDM4EEGFRKMT2AALDH1A1HPGD

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-8158678-B2 Photoabsorbing, highly conjugated compounds of cyanoacrylic esters, sunscreen compositions and methods of use CPH INNOVATIONS CORP. 2012-04-17 US disclosed