SCHEMBL3779554

SCHEMBL3779554

CCCCCCCCOC(=O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
TSHR P16473 4/20 0.64
LMNA P02545 2/20 0.64
CYP3A4 P08684 2/20 0.61
MAPK1 P28482 2/20 0.61
TP53 P04637 1/20 0.61
KDM4E B2RXH2 3/20 0.56
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4A O75164 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL28335801 1.00 ALDH1A1 (0.64) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL3773227 1.00 ALDH1A1 (0.64) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL3777724 1.00 ALDH1A1 (0.64) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27661093 0.91 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL9156195 0.91 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL9152161 0.91 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL9150942 0.91 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL22289836 0.91 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28177358 0.91 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL383322 0.88 ALDH1A1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228135-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINT AND CONSTANT VELOCITY JOINT KYODO YUSHI CO., LTD. (JP) 2014-08-14 US disclosed
US-20100323934-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINT AND CONSTANT VELOCITY JOINT NTN CORPORATION (JP) 2010-12-23 US disclosed