SCHEMBL9685140

SCHEMBL9685140

CCCCCCCCCCCCCC(N)CCCN1CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
GAA P10253 1/20 0.41
ALOX5 P09917 2/20 0.40
S1PR2 O95136 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR4 O95977 4/20 0.40
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
ADRA1B P35368 1/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9684750 0.94 PIK3CD (0.42) PIK3CDGAAALOX5S1PR2S1PR1
SCHEMBL9683071 0.87 PIK3CD (0.51) PIK3CDGAAALOX5S1PR2S1PR1
SCHEMBL9684767 0.87 PIK3CD (0.51) PIK3CDGAAALOX5S1PR2S1PR1
SCHEMBL5501695 0.87 PIK3CD (0.47) PIK3CDGAAALOX5KMT2ARAB9A
SCHEMBL6575811 0.84 ALOX5 (0.53) PIK3CDGAAALOX5KMT2ARAB9A
SCHEMBL6012088 0.84 ALOX5 (0.53) PIK3CDGAAALOX5KMT2ARAB9A
SCHEMBL297738 0.84 ALOX5 (0.53) PIK3CDGAAALOX5KMT2ARAB9A
SCHEMBL37427 0.84 ALOX5 (0.53) PIK3CDGAAALOX5KMT2ARAB9A
SCHEMBL430004 0.84 ALOX5 (0.53) PIK3CDGAAALOX5KMT2ARAB9A
SCHEMBL297237 0.84 ALOX5 (0.53) PIK3CDGAAALOX5KMT2ARAB9A

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