SCHEMBL10449003

SCHEMBL10449003

CC(=O)c1cc(CCC(C)O)ccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.48
▸ LTB4R2 Q9NPC1 2/20 0.43
▸ LTB4R Q15722 1/20 0.43
▸ MMP12 P39900 4/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ BRS3 P32247 1/20 0.40
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN6 P29350 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CLPP Q16740 2/20 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
SCHEMBL10448537 0.92 FOLH1 (0.46) FOLH1LTB4R2LTB4RMMP13MMP2
SCHEMBL11830550 0.84 FOLH1 (0.46) FOLH1LTB4R2LTB4RMMP12MMP13
SCHEMBL10449002 0.83 BRS3 (0.46) LTB4R2MMP12MMP13MMP2MMP9
SCHEMBL10448632 0.81 FOLH1 (0.41) FOLH1LTB4R2LTB4RMMP12BRS3
SCHEMBL11802150 0.78 PTGS1 (0.49) MMP2MAPT
SCHEMBL11802122 0.78 CSNK2A1 (0.55) MMP12MMP13MMP2MMP9MMP14
Acetic Acid SCHEMBL10898690 0.76 ALDH1A1 (0.51) PTPN1ALDH1A1MAPT
SCHEMBL10448535 0.75 BRS3 (0.45) LTB4R2BRS3
SCHEMBL10448751 0.74 FOLH1 (0.44) FOLH1LTB4R2LTB4RBRS3
Acetic Acid SCHEMBL10899033 0.73 TSHR (0.56) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0360622-A2 Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-28 — — EP disclosed
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