SCHEMBL29037600

SCHEMBL29037600

CCCCCCCCCCCCN(CCCCCCCCCCCC)CCNC=O.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.63
ADH1B P00325 4/20 0.63
ADH7 P40394 4/20 0.63
ADH1C P00326 4/20 0.63
EPHX1 P07099 4/20 0.63
ADH4 P08319 3/20 0.63
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM5A P29375 2/20 0.39
PHF8 Q9UPP1 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
DNM1 Q05193 2/20 0.37
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
ICMT O60725 1/20 0.36
ALB P02768 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
SCHEMBL27269307 0.96 ADH1A (0.63) ADH1AADH1BADH7ADH1CEPHX1
SCHEMBL2173059 0.91 ADH1A (0.61) ADH1AADH1BADH7ADH1CEPHX1
SCHEMBL10988163 0.90 ADH1A (0.72) ADH1AADH1BADH7ADH1CEPHX1
SCHEMBL5257037 0.90 ADH1B (0.60) ADH1AADH1BADH7ADH1CEPHX1
SCHEMBL27415467 0.90 EPHX1 (0.55) ADH1AADH1BADH7ADH1CEPHX1
SCHEMBL23471026 0.89 ADH1A (0.57) ADH1AADH1BADH7ADH1CEPHX1
Acetic Acid SCHEMBL27419583 0.84 EPHX1 (0.49) ADH1AADH1BADH7ADH1CEPHX1
SCHEMBL2170369 0.83 ADH1A (0.67) ADH1AADH1BADH7ADH1CEPHX1
SCHEMBL5256159 0.82 ADH1B (0.65) ADH1AADH1BADH7ADH1CEPHX1
SCHEMBL5259260 0.82 ADH1B (0.67) ADH1AADH1BADH7ADH1CEPHX1

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
CN-115246780-A Carboxylic acid modified anionic surfactant, preparation method, alkali-free binary system and application 中国石油天然气集团有限公司 2022-10-28 CN disclosed