SCHEMBL31065401

SCHEMBL31065401

C=C(CCC)C(=O)O.O=C1CCC(=O)N1CCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.39
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
ALPL P05186 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 2/20 0.33
RGS12 O14924 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL31065453 0.96 FAAH (0.39) FAAHMGLLSMN1; SMN2HTTHPGD
Methacrylic Acid SCHEMBL31065424 0.82 SMN1; SMN2 (0.43) FAAHMGLLSMN1; SMN2HTTHPGD
SCHEMBL10336336 0.82 SMN1; SMN2 (0.50) SMN1; SMN2HTTHPGDALDH1A1DRD2
SCHEMBL7078804 0.81 ALDH1A1 (0.42) SMN1; SMN2HTTHPGDALDH1A1DRD2
Methacrylic Acid SCHEMBL31065394 0.79 ALDH1A1 (0.39) FAAHMGLLSMN1; SMN2HTTHPGD
SCHEMBL16039334 0.78 ALDH1A1 (0.48) FAAHMGLLSMN1; SMN2HTTHPGD
SCHEMBL2534881 0.76 GPR84 (0.43) SMN1; SMN2ALDH1A1TSHRKDM4EMEN1
SCHEMBL8021632 0.76 ALDH1A1 (0.47) FAAHMGLLSMN1; SMN2HTTHPGD
SCHEMBL31065448 0.76 ALDH1A1 (0.47) FAAHMGLLSMN1; SMN2HTTHPGD
SCHEMBL9818023 0.76 ALDH1A1 (0.47) FAAHMGLLSMN1; SMN2HTTHPGD

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
CN-118667066-A Polymer, preparation method, binder, positive electrode sheet, secondary battery and electricity utilization device 宁德时代新能源科技股份有限公司 2024-09-20 CN claimed