SCHEMBL8960642

SCHEMBL8960642

[CH2]CC(C)(C)CCCC=C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4961456 0.93 TSHR (0.46) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL4646811 0.87 TSHR (0.48) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL3681916 0.80 TSHR (0.48) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL733134 0.78 TSHR (0.40) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL9123476 0.78 TSHR (0.52) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL8960671 0.76 ACLY (0.32)
SCHEMBL8960676 0.76 ACLY (0.32)
SCHEMBL1608237 0.76
SCHEMBL30805063 0.75 ALDH1A1 (0.37) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL8392685 0.74

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-0693284-A1 PROSTACYCLIN-CONTAINING OLEAGINOUS OINTMENT TEIJIN LIMITED (JP) 1996-01-24 EP disclosed