SCHEMBL9715718

SCHEMBL9715718

C=C(c1ccccc1CC)c1ccccc1C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.41
PTGS2 P35354 5/20 0.40
PTGS1 P23219 2/20 0.40
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
MMP14 P50281 2/20 0.38
MMP16 P51512 2/20 0.38
MMP1 P03956 1/20 0.38
CLCN2 P51788 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MMP3 P08254 1/20 0.36
PTGER4 P35408 1/20 0.36
SLC37A4 O43826 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL10600925 0.85 GABRA1 (0.41) PTGS1CLCN2
SCHEMBL9715714 0.84 ALDH1A1 (0.47) CXCL8PTGS2PTGS1MMP2MMP9
SCHEMBL9715755 0.83 PTGS2 (0.44) CXCL8PTGS2PTGS1MMP2MMP9
SCHEMBL9715715 0.82 HCRTR1 (0.48) PTGS2PTGS1ALDH1A1
SCHEMBL9632497 0.82 PTGS2 (0.47) CXCL8PTGS2PTGS1MMP2MMP9
SCHEMBL9715744 0.81 TSHR (0.57) PTGS2PTGS1ALDH1A1
SCHEMBL30222272 0.81 PTGS2 (0.46) CXCL8PTGS2PTGS1MMP2MMP9
SCHEMBL5112475 0.81 PTGS2 (0.46) CXCL8PTGS2PTGS1MMP2MMP9
SCHEMBL5983552 0.81 PTGS2 (0.46) CXCL8PTGS2PTGS1MMP2MMP9
SCHEMBL9715759 0.80 TSHR (0.45) CXCL8PTGS2PTGS1MMP2MMP9

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-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 US disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed