SCHEMBL31416613

SCHEMBL31416613

CCCC/C=C(\C)C(=O)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
EP300 Q09472 1/20 0.39
GRIK1 P39086 1/20 0.36
TSHR P16473 1/20 0.36
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
EPHX2 P34913 1/20 0.33
CES1 P23141 1/20 0.32
FAAH O00519 1/20 0.32
CES2 O00748 1/20 0.31
CCR2 P41597 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
SCHEMBL28893813 0.92 EP300 (0.50) EP300TSHRF7F3FAAH
SCHEMBL9156165 0.87 ALDH1A1 (0.33) ALDH1A1GRIK1
SCHEMBL28088449 0.82 CA12 (0.38) EP300GRIK1TSHRF7F3
SCHEMBL42844 0.82 PAOX (0.34)
SCHEMBL28095575 0.81 EP300 (0.35) ALDH1A1EP300GRIK1TSHRF7
Hydrochloric Acid SCHEMBL10791001 0.80 PAOX (0.33)
SCHEMBL28205531 0.80 CA12 (0.38) ALDH1A1EP300GRIK1TSHRF7
SCHEMBL2501501 0.80 PAOX (0.38) ALDH1A1
Dodecylamine SCHEMBL1933305 0.79 DNM1 (0.44) ALDH1A1EP300TSHRFAAH
SCHEMBL30153253 0.79 EP300 (0.36) EP300GRIK1TSHRF7F3

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
CN-122055371-A Faster automated iterative C-C bond formation 伊利诺伊大学评议会 2026-05-15 CN disclosed
WO-2025042679-A1 FASTER AUTOMATED ITERATIVE C-C BOND FORMATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-02-27 WO disclosed