SCHEMBL9715735

SCHEMBL9715735

Cc1ccccc1C=Cc1ccccc1C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
PMP22 Q01453 1/20 0.44
TSHR P16473 2/20 0.41
CXCL8 P10145 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
MMP16 P51512 1/20 0.40
RAB9A P51151 5/20 0.40
PTGS2 P35354 4/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL10590961 0.86 LMNA (0.44) KDM4ESMN1; SMN2LMNACXCL8MMP1
SCHEMBL10591005 0.85 TRPA1 (0.47) ALDH1A1SMN1; SMN2LMNACXCL8MMP1
SCHEMBL8099514 0.81 CA1 (0.53) KDM4ESMN1; SMN2CXCL8MMP1MMP2
SCHEMBL8099512 0.81 CA1 (0.53) KDM4ESMN1; SMN2CXCL8MMP1MMP2
SCHEMBL30717242 0.80 PTGS2 (0.48) ALDH1A1KDM4ESMN1; SMN2LMNAPMP22
SCHEMBL362699 0.80 PTGS2 (0.48) ALDH1A1KDM4ESMN1; SMN2LMNAPMP22
SCHEMBL15641407 0.80 PTGS2 (0.48) ALDH1A1KDM4ESMN1; SMN2LMNAPMP22
SCHEMBL5843818 0.79 LMNA (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAPMP22
Hydrochloric Acid SCHEMBL9402250 0.78 PTGS2 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAPMP22
SCHEMBL2928008 0.77 PTGS2 (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAPMP22

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