SCHEMBL6903024

SCHEMBL6903024

CC(=O)OCC1(C(=O)O)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 7/20 0.34
LMNA P02545 3/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TBXAS1 P24557 2/20 0.32
MME P08473 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
G6PD P11413 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31

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
SCHEMBL9875236 0.94 CYP2C19 (0.42) CYP2C19ALDH1A1LMNAHSD17B10CYP4F2
SCHEMBL27752053 0.90 ALDH1A1 (0.39) CYP2C19ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL9680322 0.86 CYP2C19 (0.38) CYP2C19ALDH1A1LMNAHSD17B10CYP4F2
SCHEMBL19753 0.79 CYP2C19 (0.54) CYP2C19ALDH1A1LMNACYP4F2CYP4A11
SCHEMBL12204121 0.78 CYP4F2 (0.50) CYP2C19ALDH1A1LMNAHSD17B10CYP4F2
SCHEMBL1812027 0.77 CYP2C19 (0.50) CYP2C19CYP4F2CYP4A11TBXAS1MME
SCHEMBL7195368 0.77 LMNA (0.39) CYP2C19ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL28336048 0.77 CYP2C19 (0.43) CYP2C19ALDH1A1
SCHEMBL31341749 0.76 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
SCHEMBL9875365 0.76 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10

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-1043304-B1 Method for producing (hydroxyalkyl)alicyclic carboxylic acids and intermediates therefor NIPPON CATALYTIC CHEM IND (JP) 2004-02-25 EP disclosed
US-6444843-B1 CATALYTIC OXIDATION NIPPON SHOKUBAI CO., LTD. (JP) 2002-09-03 US disclosed
EP-1043304-A1 Method for producing (hydroxyalkyl)alicyclic carboxylic acids and intermediates therefor Nippon Shokubai Co., Ltd. (JP) 2000-10-11 EP disclosed