SCHEMBL6522172

SCHEMBL6522172

O=C(O)CC(C(=O)O)=C(CC(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 1/20 0.41
CYP19A1 P11511 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
KDM4E B2RXH2 3/20 0.37
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6519448 0.88 SMN1; SMN2 (0.39) LMNAALDH1A1RAB9ACYP19A1SMN1; SMN2
SCHEMBL6522232 0.81 MEN1 (0.45) LMNAALDH1A1RAB9ASMN1; SMN2FAAH
SCHEMBL6523732 0.80 HPGD (0.41) LMNAALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL6515811 0.78 ESRRB (0.47) LMNAALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL28077707 0.78 CYP2D6 (0.56) LMNAALDH1A1RAB9ACYP19A1SMN1; SMN2
SCHEMBL28740518 0.77 CYP2D6 (0.55) LMNAALDH1A1RAB9ACYP19A1SMN1; SMN2
SCHEMBL6517220 0.76 HTT (0.41) LMNAALDH1A1RAB9ACYP19A1SMN1; SMN2
SCHEMBL6517378 0.76 ELANE (0.43) ALDH1A1RAB9ACYP19A1SMN1; SMN2CYP1A2
SCHEMBL6521092 0.75 HTT (0.44) LMNAALDH1A1RAB9ACYP19A1SMN1; SMN2
SCHEMBL6519695 0.74 HTT (0.47) LMNAALDH1A1RAB9ACYP19A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed