SCHEMBL9631068

SCHEMBL9631068

C=C(CCC(C)COCCCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 6/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.35
SPHK1 Q9NYA1 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
TLR2 O60603 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL1260033 0.84 CYP1A2 (0.55) PLA2G2CCYP1A2CYP3A4CYP2C19USP2
SCHEMBL18197377 0.80 CYP1A2 (0.61) PLA2G2CCYP1A2CYP3A4CYP2C19USP2
SCHEMBL950316 0.80 ACE2 (0.47) ALDH1A1ALOX15MAPTACE2TLR2
SCHEMBL4291475 0.79 CYP1A2 (0.59) PLA2G2CCYP1A2CYP3A4CYP2C19USP2
SCHEMBL14717767 0.79 CYP1A2 (0.59) PLA2G2CCYP1A2CYP3A4CYP2C19USP2
SCHEMBL27604993 0.79 PLA2G2C (0.49) PLA2G2CCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL3289423 0.78 ACE2 (0.55) ALDH1A1MAPTACE2TSHR
SCHEMBL125750 0.78 TSHR (0.45) CYP3A4ALDH1A1MAPTHTTTSHR
SCHEMBL125262 0.78 TSHR (0.45) CYP3A4ALDH1A1MAPTHTTTSHR
SCHEMBL2119583 0.78 EPHX2 (0.34) ALDH1A1EPHX2ACE2TSHR

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-0355028-B1 METHOD FOR PREVENTING WEATHERING OF MINERAL SUBSTRATES BASF Aktiengesellschaft (DE) 1992-05-06 EP disclosed
EP-0441221-A1 Method for preventing the appearance of efflorescence of mineral substrates BASF Aktiengesellschaft (DE) 1991-08-14 EP disclosed
EP-0355028-A1 Method for preventing weathering of mineral substrates BASF Aktiengesellschaft (DE) 1990-02-21 EP disclosed