SCHEMBL9683071

SCHEMBL9683071

CCCCCCCCCCCC(N)CN1CCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.42
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
ALOX5 P09917 2/20 0.38
S1PR2 O95136 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR4 O95977 4/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL9684767 1.00 PIK3CD (0.51) PIK3CDGAATSHRDPP4DPP8
SCHEMBL9683077 0.95 GAA (0.46) PIK3CDGAATSHRDPP4DPP8
SCHEMBL9684750 0.87 PIK3CD (0.42) PIK3CDGAATSHRALOX5S1PR2
SCHEMBL9685140 0.87 PIK3CD (0.42) PIK3CDGAATSHRALOX5S1PR2
SCHEMBL19035537 0.84 PIK3CD (0.54) PIK3CDGAATSHRALOX5CYP2C19
SCHEMBL19981657 0.83 PIK3CD (0.51) PIK3CDGAATSHRDPP4DPP8
SCHEMBL27320657 0.77 GAA (0.55) PIK3CDGAATSHRLMNACA12
SCHEMBL22548332 0.77 PIK3CD (0.45) PIK3CDGAATSHRALOX5LMNA
SCHEMBL21217031 0.76 PIK3CD (0.61) PIK3CDGAATSHRCYP2C19LMNA
SCHEMBL5501695 0.76 PIK3CD (0.47) PIK3CDGAAALOX5LMNA

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