SCHEMBL10697476

SCHEMBL10697476

O=C(O)C1(C(=O)O)CCCCC12CCCCCC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
HSD11B1 P28845 1/20 0.34
FFAR3 O14843 1/20 0.33
AKR1C1 Q04828 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Cyclohexane SCHEMBL2491823 0.97 CYP2C19 (0.39) CYP2C19HSD11B1FFAR3AKR1C1USP2
SCHEMBL4559942 0.97 CYP2C19 (0.37) CYP2C19HSD11B1FFAR3AKR1C1USP2
SCHEMBL10381635 0.94 CYP2C19 (0.36) CYP2C19HSD11B1FFAR3AKR1C1
SCHEMBL19326637 0.85 CYP2C19 (0.46) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL10749636 0.85 CYP2C19 (0.46) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL19326635 0.85 CYP2C19 (0.46) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL16819028 0.85 CYP2C19 (0.46) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL19326647 0.85 CYP2C19 (0.46) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL19326636 0.85 CYP2C19 (0.46) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL11637330 0.83 FFAR3 (0.33) CYP2C19FFAR3

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
EP-0295484-A2 Amino-modified silicone slipping layer for dye-donor element used in thermal dye transfer EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-12-21 EP disclosed
EP-0272400-A1 Polyester subbing layer for slipping layer of dye-donor element used in thermal dye transfer EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-06-29 EP disclosed