SCHEMBL8215239

SCHEMBL8215239

O=C(O)/C=C/C=C/Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ABCC4 O15439 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
HTT P42858 1/20 0.47
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
GPR52 Q9Y2T5 1/20 0.43
MAOB P27338 1/20 0.42
MMP12 P39900 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TOP1 P11387 1/20 0.39
MMP13 P45452 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL8343041 0.89 MAOB (0.54) LMNAALDH1A1GPR52MAOBTOP1
SCHEMBL10596492 0.89 MAOB (0.54) LMNAALDH1A1GPR52MAOBTOP1
SCHEMBL7364003 0.87 LMNA (0.52) LMNAABCC4GAATSHRPTGS1
SCHEMBL8219242 0.87 BCL2L1 (0.42) LMNAGAAALDH1A1MAOBSMN1; SMN2
SCHEMBL8207836 0.84 MCL1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8219773 0.83 GPR52 (0.59) LMNAABCC4GAATSHRPTGS1
SCHEMBL8219248 0.83 HDAC2 (0.46) TSHRHTTMMP12MMP13IDO1
SCHEMBL8214644 0.82 ANPEP (0.37)
SCHEMBL8219175 0.82 CYP17A1 (0.41) LMNAKDM4E
SCHEMBL11219683 0.81 LPAR2 (0.42) LMNAABCC4GAATSHRPTGS1

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-6106908-A OPTICAL APPARATUS WITH LIQUID CRYSTAL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2000-08-22 US disclosed