SCHEMBL28899113

SCHEMBL28899113

O=C(O)CCCCc1cccs1.O=C(O)CCCCc1cccs1.O=C(O)CCc1cccs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.67
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HPGD P15428 2/20 0.54
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
USP2 O75604 1/20 0.50
MAPT P10636 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.46
PRNP P04156 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL2400084 0.96 NPC1 (0.70) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL4365322 0.95 NPC1 (0.68) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL4367706 0.95 NPC1 (0.68) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL4373361 0.95 NPC1 (0.68) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL8080009 0.95 NPC1 (0.68) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL4370700 0.95 NPC1 (0.68) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL713455 0.95 NPC1 (0.68) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL4368662 0.95 NPC1 (0.68) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL4369177 0.95 NPC1 (0.68) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL4370367 0.95 NPC1 (0.68) NPC1POLBTDP1HPGDALDH1A1

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-115397916-A Conductive polymer composition, substrate, and method for producing substrate 信越化学工业株式会社 2022-11-25 CN disclosed