SCHEMBL11036049

SCHEMBL11036049

CCSC(=O)NCCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.61
LIPC P11150 1/20 0.61
TRPV1 Q8NER1 1/20 0.56
HPGD P15428 4/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.51
HSP90AA1 P07900 1/20 0.51
NLRP3 Q96P20 1/20 0.51

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
SCHEMBL10069499 0.95 L3MBTL1 (0.58) LPLLIPCHPGDKMT2ASMN1; SMN2
SCHEMBL10069699 0.89 CA12 (0.54) HPGDKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL3919664 0.79 TRPV1 (0.71) TRPV1HPGDKMT2AALDH1A1SMN1; SMN2
SCHEMBL24001346 0.78 CYP3A4 (0.54) HPGDKMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL425223 0.78 TRPV1 (0.65) TRPV1HPGDKMT2AALDH1A1SMN1; SMN2
SCHEMBL2019835 0.78 TRPV1 (0.69) TRPV1HPGDKMT2AALDH1A1SMN1; SMN2
SCHEMBL15093363 0.78 EPHX2 (0.77) TRPV1HPGDKMT2AALDH1A1LMNA
SCHEMBL31035980 0.78 TRPV1 (0.73) TRPV1HPGDKMT2AALDH1A1LMNA
SCHEMBL31036003 0.78 TRPV1 (0.73) TRPV1HPGDKMT2AALDH1A1LMNA
SCHEMBL31035861 0.78 TRPV1 (0.73) TRPV1HPGDKMT2AALDH1A1LMNA

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
JP-59104355-A None JP disclosed
JP-S59104355-A N-PHENYLALKYLTHIOLCARBAMATE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING THE SAME AS ACTIVE CONSTITUENT SUMITOMO CHEM CO LTD 1984-06-16 JP disclosed