SCHEMBL31329401

SCHEMBL31329401

CCCCOCc1cc(=O)cc(COCCCC)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA6 P23280 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL31329403 0.95 GPR84 (0.37) ALDH1A1TSHRCYP3A4CA12CA1
SCHEMBL31329420 0.93 GPR84 (0.40) ALDH1A1TSHRCYP3A4MAPTMEN1
SCHEMBL31329394 0.93 GPR84 (0.40) ALDH1A1TSHRCYP3A4MAPTMEN1
SCHEMBL31329402 0.93 GPR84 (0.40) ALDH1A1TSHRCYP3A4MAPTMEN1
SCHEMBL31329434 0.93 GPR84 (0.40) ALDH1A1TSHRCYP3A4MAPTMEN1
SCHEMBL31329419 0.93 GPR84 (0.40) ALDH1A1TSHRCYP3A4MAPTMEN1
SCHEMBL31329405 0.93 GPR84 (0.40) ALDH1A1TSHRCYP3A4MAPTMEN1
SCHEMBL31329407 0.93 GPR84 (0.40) ALDH1A1TSHRCYP3A4MAPTMEN1
SCHEMBL31329411 0.89 CA12 (0.33) ALDH1A1CA12CA1CA2CA6
SCHEMBL31329406 0.80 ALOX5 (0.37) ALDH1A1CA12CA1CA6CA7

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
CN-119331143-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油天然气股份有限公司 2026-02-27 CN claimed
CN-119331143-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油天然气股份有限公司 2025-01-21 CN claimed
CN-119331143-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油天然气股份有限公司 2025-01-21 CN disclosed