SCHEMBL8433875

SCHEMBL8433875

C=CCCCCCCCCCOC1=CC(=O)CCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
ALDH1A1 P00352 2/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.31
ABCC4 O15439 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
SCHEMBL2441984 0.73 MEN1 (0.40) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL31267673 0.71 LPAR3 (0.36) LPAR3LPAR2ALDH1A1ADORA1CDK1
SCHEMBL31955606 0.67 MAPT (0.44) ALDH1A1MEN1KMT2AMAPT
SCHEMBL6515435 0.65 MEN1 (0.45) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL6060419 0.65 TDP1 (0.35) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL16581610 0.64 ALDH1A1 (0.46) LPAR3LPAR2ALDH1A1ADORA1LMNA
SCHEMBL16581598 0.64 ALDH1A1 (0.46) LPAR3LPAR2ALDH1A1ADORA1LMNA
SCHEMBL15365357 0.64 ALDH1A1 (0.59) LPAR3LPAR2ALDH1A1L3MBTL1
SCHEMBL10248293 0.64 LMNA (0.36) LMNAMEN1KMT2A
SCHEMBL16581589 0.62 ALDH1A1 (0.47) LPAR3LPAR2ALDH1A1CDK1CCNB1

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-5859017-A PREVENTING OR TREATING ALLERGIES; INHIBITING INTRACELLULAR GENERATION OF PHOSPHATIDIC ACID AND DIACYLGLYCEROL CELL THERAPEUTICS, INC. (US) 1999-01-12 US disclosed
WO-1995026722-A1 METHOD FOR INHIBITING MAST CELL AND BASOPHIL ACTIVATION CELL THERAPEUTICS, INC. (US) 1995-10-12 WO disclosed