SCHEMBL7628826

SCHEMBL7628826

CCOC(=O)CC(OCC)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ FFAR1 O14842 3/20 0.43
▸ NLRP3 Q96P20 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.40
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ ESR1 P03372 1/20 0.38

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
SCHEMBL3819275 0.89 FFAR1 (0.44) FFAR1NLRP3MEN1KMT2ANPC1
SCHEMBL27810153 0.85 ALDH1A1 (0.46) TSHRALDH1A1FFAR1NLRP3MEN1
SCHEMBL5972758 0.82 TSHR (0.48) TSHRALDH1A1NLRP3MEN1KMT2A
SCHEMBL10249906 0.81 TSHR (0.47) TSHRALDH1A1NLRP3MEN1KMT2A
SCHEMBL2320013 0.81 ALDH1A1 (0.47) TSHRALDH1A1NLRP3MEN1KMT2A
SCHEMBL12499810 0.81 ALDH1A1 (0.47) TSHRALDH1A1NLRP3MEN1KMT2A
SCHEMBL3821109 0.81 FFAR1 (0.51) TSHRALDH1A1FFAR1MEN1KMT2A
SCHEMBL6108621 0.81 CA12 (0.41) TSHRALDH1A1FFAR1KMT2ATDP1
Hydrochloric Acid SCHEMBL2319627 0.79 ALDH1A1 (0.46) TSHRALDH1A1NLRP3MEN1KMT2A
SCHEMBL27544216 0.77 ALDH1A1 (0.47) TSHRALDH1A1FFAR1NLRP3MEN1

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
EP-0790260-B1 Solid catalyst components for polymerization JAPAN POLYOLEFINS CO LTD (JP) 2002-11-06 — — EP disclosed
US-5902765-A MADE BY REACTING A MAGNESIUM DIHALIDE WITH TETRAHYDROFURAN, BUTYL ETHER OR DIETHYL ETHER AND TREATING THE SOLID SUBSTANCE WITH AN ELECTRON DONATIVE COMPOUND HAVING TWO OR MORE ALKOXY OR ESTER GROUPS, CONTACTING WITH TITANIUM; STEREOREGULARITY JAPAN POLYOLEFINS CO., LTD. (JP) 1999-05-11 — — US disclosed
EP-0790260-A1 Solid catalyst components for polymerization JAPAN POLYOLEFINS CO., LTD. (JP) 1997-08-20 — — EP disclosed
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