SCHEMBL9152161

SCHEMBL9152161

CCCCCCCCCCCCOC(=O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
TSHR P16473 4/20 0.69
LMNA P02545 2/20 0.69
CYP3A4 P08684 2/20 0.67
MAPK1 P28482 2/20 0.67
TP53 P04637 1/20 0.67
HSD17B10 Q99714 2/20 0.61
KDM4E B2RXH2 2/20 0.61
POLB P06746 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP2 P08253 1/20 0.50
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49

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
SCHEMBL9156195 1.00 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28177358 1.00 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27661093 1.00 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL9150942 1.00 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL22289836 1.00 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27556341 0.94 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27452138 0.92 ALDH1A1 (0.66) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL3773227 0.91 ALDH1A1 (0.64) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL3779554 0.91 ALDH1A1 (0.64) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28335801 0.91 ALDH1A1 (0.64) ALDH1A1TSHRLMNACYP3A4MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337355-B1 Composition for liquid crystal aligning agent NISSAN CHEMICAL IND LTD (JP) 1995-01-18 EP disclosed
US-4929658-A Composition for liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-05-29 US disclosed
EP-0337355-A2 Composition for liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-10-18 EP disclosed