SCHEMBL7644644

SCHEMBL7644644

C=CC=CC(C=Cc1ccccc1)=C(C#N)CC=C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 5/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PLIN1 O60240 2/20 0.34
RECQL P46063 2/20 0.34
PLIN5 Q00G26 2/20 0.34
ABHD5 Q8WTS1 2/20 0.34
TNKS O95271 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL6518213 0.81 LMNA (0.39) MCL1KDM4EALDH1A1LMNAMAPT
SCHEMBL9190659 0.80 KDM4E (0.38) MCL1KDM4EALDH1A1LMNAMAPT
SCHEMBL353086 0.78 GLA (0.42) MCL1KDM4EALDH1A1LMNAMAPT
SCHEMBL10901492 0.74 KDM4E (0.34) MCL1KDM4EALDH1A1LMNAMAPT
SCHEMBL2246620 0.74 HDAC3 (0.47) MCL1KDM4EALDH1A1LMNAMAPT
SCHEMBL1690910 0.74 GLA (0.45) MCL1KDM4EALDH1A1LMNAMAPT
SCHEMBL624043 0.73 GLA (0.41) MCL1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11031369 0.72 KDM4E (0.35) MCL1KDM4EALDH1A1LMNAMAPT
SCHEMBL9559736 0.71 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2HDAC3
SCHEMBL9861601 0.71 KDM4E (0.37) MCL1KDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6435939-B1 Brassiere underwiring LIN CHIEN-MING (TW) 2002-08-20 US claimed
US-6435939-B1 Brassiere underwiring LIN CHIEN-MING (TW) 2002-08-20 US disclosed