SCHEMBL11844397

SCHEMBL11844397

CCCCCOCC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
LPAR1 Q92633 4/20 0.47
LPAR3 Q9UBY5 4/20 0.47
PLA2G2C Q5R387 2/20 0.47
SPHK1 Q9NYA1 1/20 0.47
HTT P42858 1/20 0.47
CES2 O00748 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
TLR2 O60603 2/20 0.44
LPAR2 Q9HBW0 1/20 0.44

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
SCHEMBL446836 0.94 ACE2 (0.46) USP2ACE2LPAR1LPAR3PLA2G2C
SCHEMBL16299711 0.94 ACE2 (0.46) USP2ACE2LPAR1LPAR3PLA2G2C
SCHEMBL3283814 0.85 HSD17B10 (0.54) USP2ACE2HTTCYP1A2CYP3A4
SCHEMBL28421813 0.82 CES2 (0.55) USP2LPAR1LPAR3PLA2G2CSPHK1
SCHEMBL16467140 0.82 USP2 (0.47) USP2LPAR1LPAR3PLA2G2CSPHK1
SCHEMBL9730273 0.82 ACE2 (0.56) ACE2PLA2G2CHTTCES2CYP1A2
SCHEMBL21896392 0.81 PAOX (0.42) USP2ACE2LPAR1LPAR3PLA2G2C
SCHEMBL10948512 0.81 PLA2G2C (0.49) USP2LPAR1LPAR3PLA2G2CSPHK1
SCHEMBL11348967 0.80 GPR84 (0.53) USP2LPAR1LPAR3PLA2G2CSPHK1
SCHEMBL14759111 0.79 SPHK1 (0.51) USP2LPAR1LPAR3PLA2G2CSPHK1

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-3980670-A Manufacture of methacrylic acid and butyrolactone BASF AKTIENGESELLSCHAFT (DT) 1976-09-14 US claimed
US-3980670-A Manufacture of methacrylic acid and butyrolactone BASF AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed