SCHEMBL28616692

SCHEMBL28616692

O=C(O)C1(C(=O)O)CCCC=CCCC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
AKR1C1 Q04828 1/20 0.32
FFAR3 O14843 1/20 0.32
CYP2C19 P33261 1/20 0.30

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
SCHEMBL28615999 0.95 CYP2D6 (0.32) CYP2D6AKR1C1
SCHEMBL28616689 0.88
SCHEMBL28247059 0.88 AKR1C1 (0.33) CYP2D6AKR1C1CYP2C19
SCHEMBL28629369 0.83 CYP2D6 (0.35) CYP2D6AKR1C1FFAR3
Benzene SCHEMBL27337723 0.80 AKR1C1 (0.41) CYP2D6AKR1C1FFAR3CYP2C19
SCHEMBL8907359 0.80 FFAR3 (0.40) CYP2D6AKR1C1FFAR3CYP2C19
SCHEMBL440358 0.80 CYP2C19 (0.42) CYP2D6AKR1C1FFAR3CYP2C19
SCHEMBL127199 0.80 FFAR3 (0.40) CYP2D6AKR1C1FFAR3CYP2C19
SCHEMBL28091879 0.80 CYP2C19 (0.31) CYP2C19
Benzene SCHEMBL27857640 0.78 AKR1C1 (0.44) CYP2D6AKR1C1FFAR3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699380-B Granulating stabilizer for multi-color pattern coating 圣诺普科有限公司 2021-09-03 CN disclosed