SCHEMBL9684750

SCHEMBL9684750

CCCCCCCCCCCCCCCCCC(N)CCN1CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

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
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 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
SCHEMBL9685140 0.94 PIK3CD (0.42) PIK3CDGAAALOX5S1PR2S1PR1
SCHEMBL11670310 0.88 PIK3CD (0.47) PIK3CDKMT2ATSHRMEN1PKM
SCHEMBL9684767 0.87 PIK3CD (0.51) PIK3CDGAAALOX5S1PR2S1PR1
SCHEMBL9683071 0.87 PIK3CD (0.51) PIK3CDGAAALOX5S1PR2S1PR1
SCHEMBL22548332 0.85 PIK3CD (0.45) PIK3CDGAAALOX5KMT2ATSHR
SCHEMBL9683077 0.82 GAA (0.46) PIK3CDGAAALOX5S1PR2S1PR1
SCHEMBL22548335 0.82 PIK3CD (0.42) PIK3CDGAAALOX5KMT2ATSHR
SCHEMBL37427 0.81 ALOX5 (0.53) PIK3CDGAAALOX5KMT2AMEN1
SCHEMBL297738 0.81 ALOX5 (0.53) PIK3CDGAAALOX5KMT2AMEN1
SCHEMBL430004 0.81 ALOX5 (0.53) PIK3CDGAAALOX5KMT2AMEN1

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