SCHEMBL7357616

SCHEMBL7357616

CC(C(=O)O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.56
PTGS2 P35354 6/20 0.56
MAPT P10636 3/20 0.56
CXCR1 P25024 2/20 0.56
CXCR2 P25025 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
SLC22A6 Q4U2R8 2/20 0.56
HIF1A Q16665 2/20 0.56
RECQL P46063 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
PMP22 Q01453 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CXCL8 P10145 1/20 0.56
THPO P40225 1/20 0.56
AKR1C3 P42330 4/20 0.52

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
SCHEMBL3145951 0.88 PTGS1 (0.54) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL27828213 0.87 ACHE (0.49) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL4374428 0.85 PTGS1 (0.55) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL12129513 0.85 PTGS1 (0.55) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL28988616 0.84 ACHE (0.46) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL1993610 0.84 AKR1C3 (0.66) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL1760202 0.84 AKR1C3 (0.66) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL4943386 0.83 PTGS2 (0.50) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL602096 0.82 PTGS2 (0.69) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL23972306 0.82 LMNA (0.53) LMNAMAPK1ACHERXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166314-B Modified conjugated diene polymer and rubber composition containing the same 株式会社LG化学 2023-08-01 CN disclosed
CN-113166315-B Process for producing modified conjugated diene polymer 株式会社LG化学 2023-08-01 CN disclosed
CN-109721701-A A kind of thermoplastic urethane elastomer composition and preparation method and purposes 万华化学集团股份有限公司 2019-05-07 CN disclosed
WO-2015076353-A1 3-ALKYLPYRAZOLOPYRIDINE DERIVATIVE 第一三共株式会社 2015-05-28 WO disclosed
CN-101787188-B Flame-retardant PC/HIPS composite material and preparation method thereof POLYMER SCI SHENZHEN NEW MAT 2012-05-23 CN disclosed
US-5338726-A Hypotensive agents, antiulcer agents ABBOTT LABORATORIES (US) 1994-08-16 US disclosed
EP-0569487-A4 1994-04-27 EP disclosed
EP-0569487-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1993-11-18 EP disclosed
WO-1992013545-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1992-08-20 WO disclosed