SCHEMBL8538247

SCHEMBL8538247

CCCCCCCCC(CC)CCCCCCCC[C]=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
CA2 P00918 2/20 0.41
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HMGCR P04035 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
OPRM1 P35372 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
SCHEMBL9265819 1.00 ALDH1A1 (0.45) ALDH1A1TDP1LMNACA2GPR84
SCHEMBL9263902 1.00 ALDH1A1 (0.45) ALDH1A1TDP1LMNACA2GPR84
SCHEMBL9265047 0.96 ALDH1A1 (0.50) ALDH1A1TDP1LMNACA2GPR84
SCHEMBL9257086 0.92 ALDH1A1 (0.45) ALDH1A1TDP1LMNACA2GPR84
SCHEMBL1191304 0.91 LMNA (0.48) LMNAGPR84FFAR1MAPTHMGCR
SCHEMBL17392527 0.91 LMNA (0.48) LMNAGPR84FFAR1MAPTHMGCR
SCHEMBL5057383 0.91 LMNA (0.48) LMNAGPR84FFAR1MAPTHMGCR
SCHEMBL459538 0.91 LMNA (0.48) LMNAGPR84FFAR1MAPTHMGCR
SCHEMBL9466956 0.89 FAAH (0.44) TDP1LMNAFFAR1MAPTCYP3A4
SCHEMBL1826402 0.89 ALDH1A1 (0.46) ALDH1A1TDP1LMNACA2GPR84

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-5747066-A PHOSPHATIDES, BILE ACID SALT OR DIHEXANOYLLECITHIN HOFFMANN-LA ROCHE INC. (US) 1998-05-05 US disclosed