SCHEMBL8952938

SCHEMBL8952938

CCC(C)=C(C)C(=O)OC(=O)C(=O)OC(=O)C(C)=C(C)CC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
FFAR3 O14843 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SOAT1 P35610 1/20 0.32
GLO1 Q04760 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
SCHEMBL6915530 0.81 ALDH1A1 (0.38) ALDH1A1TDP1FFAR3TSHRLMNA
SCHEMBL5280336 0.81 ALDH1A1 (0.42) ALDH1A1TDP1FFAR3TSHRLMNA
SCHEMBL8165949 0.81 ALDH1A1 (0.42) ALDH1A1TDP1FFAR3TSHRLMNA
SCHEMBL7941634 0.79 ALDH1A1 (0.48) ALDH1A1TDP1TSHRLMNAHSD17B10
SCHEMBL28690746 0.79 ALDH1A1 (0.48) ALDH1A1TDP1TSHRLMNAHSD17B10
SCHEMBL28268907 0.79 ALDH1A1 (0.36) ALDH1A1TDP1FFAR3TSHRLMNA
SCHEMBL17309159 0.79 ALDH1A1 (0.36) ALDH1A1TDP1FFAR3TSHRLMNA
Ammonia Solution, Strong SCHEMBL1021440 0.79 ALDH1A1 (0.40) ALDH1A1TDP1FFAR3TSHRLMNA
SCHEMBL20174130 0.79 ALDH1A1 (0.48) ALDH1A1TDP1TSHRLMNAHSD17B10
SCHEMBL3596259 0.79 ALDH1A1 (0.36) ALDH1A1TDP1FFAR3TSHRLMNA

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-5529889-A CONTAINING CYANINE COMPOUND CANON KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed
EP-0559101-A1 Heat-developable photosensitive material and image forming method which uses the same CANON KABUSHIKI KAISHA (JP) 1993-09-08 EP disclosed