SCHEMBL214311

SCHEMBL214311

O=CCCCCCCCCCCCCCCCc1cccc2c3ccccc3c3ccccc3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 4/20 0.35
BCL2L1 Q07817 4/20 0.35
MCL1 Q07820 4/20 0.35
BAK1 Q16611 4/20 0.35
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
MMP2 P08253 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ECE1 P42892 1/20 0.35
SGMS1 Q86VZ5 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
MUS81 Q96NY9 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33

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
SCHEMBL3244852 0.83 MTNR1A (0.44) MCL1CYP1A2
SCHEMBL7184372 0.81 HPRT1 (0.42) MCL1HSD17B10SLC16A3TSHRALDH1A1
SCHEMBL3225216 0.81 MTNR1A (0.45) MCL1CYP1A2
SCHEMBL7176833 0.79 HPRT1 (0.44) MCL1HSD17B10TSHRALDH1A1
SCHEMBL28434207 0.77 LIPG (0.55) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL7189739 0.76 MTNR1A (0.38) KDM4EALDH1A1
SCHEMBL10986621 0.75 MGLL (0.56) BIDBCL2L1MCL1BAK1F7
SCHEMBL312280 0.75 SIGMAR1 (0.37) BIDBCL2L1MCL1BAK1F7
SCHEMBL11912455 0.75 TAAR1 (0.47) BIDBCL2L1MCL1BAK1F7
SCHEMBL143128 0.75 MTNR1A (0.47) MCL1CYP1A2

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
EP-2243022-B1 APPARATUS AND METHOD FOR DETECTING TRIACETONE TRIPEROXIDE UNIV BONN (DE) 2012-01-04 EP claimed