SCHEMBL9718462

SCHEMBL9718462

CC(CC(=O)O)c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.61
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
FFAR4 Q5NUL3 1/20 0.43
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
ACHE P22303 1/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BCHE P06276 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL1149768 0.83 FFAR1 (0.70) FFAR1ALDH1A1RAB9ACYP3A4HPGD
SCHEMBL237090 0.83 FFAR1 (0.70) FFAR1ALDH1A1RAB9ACYP3A4HPGD
SCHEMBL237091 0.83 FFAR1 (0.70) FFAR1ALDH1A1RAB9ACYP3A4HPGD
SCHEMBL9424247 0.82 ALDH1A1 (0.67) FFAR1ALDH1A1GAAL3MBTL1ACHE
SCHEMBL2899426 0.81 FFAR1 (0.68) FFAR1ALDH1A1RAB9ACYP3A4HPGD
SCHEMBL28324934 0.81 FFAR1 (0.68) FFAR1ALDH1A1RAB9ACYP3A4HPGD
Hydrochloric Acid SCHEMBL2005345 0.81 FFAR1 (0.68) FFAR1ALDH1A1RAB9ACYP3A4HPGD
SCHEMBL7858991 0.80 FFAR1 (0.67) FFAR1GAATSHRLMNAHTT
SCHEMBL21237780 0.80 FFAR1 (0.67) FFAR1GAATSHRLMNAHTT
SCHEMBL19413370 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRCYP3A4CYP2C19

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-5080989-A Polycarbonate, solvent resistance EASTMAN KODAK COMPANY (US) 1992-01-14 US disclosed
US-4322487-A Composite electrically photosensitive particles for electrophoretic migration imaging process EASTMAN KODAK COMPANY (US) 1982-03-30 US disclosed