SCHEMBL9683077

SCHEMBL9683077

CCCCCCCCCCCCCCCCCC(N)CN1CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
PIK3CD O00329 1/20 0.46
DPP4 P27487 3/20 0.43
DPP8 Q6V1X1 3/20 0.43
TSHR P16473 1/20 0.38
PER2 O15055 1/20 0.36
S1PR2 O95136 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR4 O95977 4/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 2/20 0.34

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
SCHEMBL9683071 0.95 PIK3CD (0.51) GAAPIK3CDDPP4DPP8TSHR
SCHEMBL9684767 0.95 PIK3CD (0.51) GAAPIK3CDDPP4DPP8TSHR
SCHEMBL19981657 0.88 PIK3CD (0.51) GAAPIK3CDDPP4DPP8TSHR
SCHEMBL9685140 0.82 PIK3CD (0.42) GAAPIK3CDTSHRS1PR2S1PR1
SCHEMBL9684750 0.82 PIK3CD (0.42) GAAPIK3CDTSHRS1PR2S1PR1
SCHEMBL19035537 0.80 PIK3CD (0.54) GAAPIK3CDTSHRPER2ALOX5
SCHEMBL24072918 0.76 ALOX5 (0.47) GAAPIK3CDL3MBTL1ALOX5
SCHEMBL245238 0.76 ALOX5 (0.47) GAAPIK3CDL3MBTL1ALOX5
SCHEMBL10792403 0.76 ALOX5 (0.47) GAAPIK3CDL3MBTL1ALOX5
SCHEMBL3728710 0.76 ALOX5 (0.47) GAAPIK3CDL3MBTL1ALOX5

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-5156837-A Hair and skin softeners compatible with anionic surfactants ISP INVESTMENTS INC. (US) 1992-10-20 US disclosed