SCHEMBL11202170

SCHEMBL11202170

CCCCC(Nc1ccc(C)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.44
HPN P05981 2/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MME P08473 2/20 0.42
FPR2 P25090 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
MMP8 P22894 1/20 0.41
POLB P06746 1/20 0.41
FOLH1 Q04609 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
SCHEMBL27485422 0.90 FPR2 (0.50) CA2MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL859719 0.87 ALDH1A1 (0.52) CA2MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL29432860 0.87 ALDH1A1 (0.52) CA2MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL9004065 0.86 CA2 (0.49) CA2MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL11205359 0.86 MMP2 (0.48) CA2MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL11206465 0.86 MAPT (0.42) MAPTALDH1A1SMN1; SMN2MAPK1CA12
SCHEMBL5645144 0.84 MEN1 (0.46) PLAUHPNCA2MAPTALDH1A1
SCHEMBL4738575 0.84 MMP2 (0.47) PLAUHPNCA2CA1
SCHEMBL5339629 0.83 TAS1R3 (0.50) MAPTALDH1A1SMN1; SMN2MEN1MAPK1
SCHEMBL15671510 0.83 FPR2 (0.45) CA2MAPTALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed