SCHEMBL12491987

SCHEMBL12491987

COC(=O)C1CC(O)C(C(=O)OC)CC1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ SLC6A4 P31645 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ XDH P47989 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL16672190 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CYP1A2HSD17B10CYP3A4
SCHEMBL1531109 0.97 — —
SCHEMBL12631398 0.92 CYP1A2 (0.48) CHRNB2CHRNA4CYP1A2HSD17B10CYP3A4
SCHEMBL1857022 0.92 CYP1A2 (0.48) CHRNB2CHRNA4CYP1A2HSD17B10CYP3A4
SCHEMBL1859619 0.92 CYP1A2 (0.48) CHRNB2CHRNA4CYP1A2HSD17B10CYP3A4
SCHEMBL20329687 0.84 CHRM2 (0.37) CHRNB2CHRNA4CYP1A2HSD17B10CYP3A4
SCHEMBL974399 0.83 CHRM2 (0.48) CHRNB2CHRNA4CYP1A2HSD17B10CYP3A4
SCHEMBL974400 0.83 CHRM2 (0.48) CHRNB2CHRNA4CYP1A2HSD17B10CYP3A4
SCHEMBL974796 0.83 CHRM2 (0.48) CHRNB2CHRNA4CYP1A2HSD17B10CYP3A4
SCHEMBL8494369 0.83 CHRM2 (0.48) CHRNB2CHRNA4CYP1A2HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119604587-A Quinacridone compounds DIC株式会社 2025-03-11 — — CN claimed
EP-4617325-A1 QUINACRIDONE COMPOUND DIC Corporation (JP) 2025-09-17 — — EP disclosed
CN-119604587-A Quinacridone compounds DIC株式会社 2025-03-11 — — CN disclosed
EP-2686293-A1 PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND TEREPHTHALIC ESTERS Dow Global Technologies LLC (US) 2014-01-22 — — EP disclosed
WO-2012125218-A1 PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND TEREPHTHALIC ESTERS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-09-20 — — WO disclosed
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