SCHEMBL9683082

SCHEMBL9683082

CCCCCCCCCCCCCCCCCCNCN1CCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PIK3CD O00329 1/20 0.38
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.36
EPHX1 P07099 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
BCHE P06276 4/20 0.35
ACHE P22303 4/20 0.35

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
SCHEMBL9683080 0.95 PIK3CD (0.42) GAAKMT2APIK3CDRAB9AALDH1A1
SCHEMBL9684772 0.95 PIK3CD (0.42) GAAKMT2APIK3CDRAB9AALDH1A1
SCHEMBL9654499 0.85 KMT2A (0.47) GAAKMT2AMEN1RAB9AALDH1A1
SCHEMBL24999556 0.81 RAB9A (0.48) KMT2AMEN1RAB9AALDH1A1
SCHEMBL9684758 0.81 KMT2A (0.50) GAAKMT2APIK3CDRAB9AALDH1A1
SCHEMBL4416421 0.81 KMT2A (0.50) GAAKMT2APIK3CDRAB9AALDH1A1
SCHEMBL9685143 0.81 RAB9A (0.48) KMT2AMEN1RAB9AALDH1A1
SCHEMBL10382938 0.80 CYP2C19 (0.48) KMT2AMEN1RAB9AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9066386 0.79 GAA (0.45) GAAKMT2AALDH1A1TSHR
SCHEMBL3728710 0.78 ALOX5 (0.47) GAAKMT2APIK3CDRAB9AL3MBTL1

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 3 patents. 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
US-5011941-A Reacting N-haloalkyl lactam with oxylated tertiary amine GAF CHEMICALS CORPORATION (US) 1991-04-30 US disclosed
US-5008104-A Emulsifying, dye leveling, antistatic and fabric softening properties GAF CHEMICALS CORPORATION (US) 1991-04-16 US disclosed