SCHEMBL8645342

SCHEMBL8645342

C=CCNC(C)CCCCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH4 P08319 1/20 0.47
ADH7 P40394 1/20 0.47
ALDH1A1 P00352 2/20 0.43
ADRB2 P07550 8/20 0.39
FAAH O00519 1/20 0.39
TSHR P16473 2/20 0.38
OPRM1 P35372 1/20 0.38
SLC6A4 P31645 1/20 0.38
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
DDAH1 O94760 1/20 0.33
GAPDH P04406 1/20 0.33

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
SCHEMBL2585984 0.94 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2330007 0.85
SCHEMBL11277100 0.82 SLC6A4 (0.37) SLC6A4
SCHEMBL17887504 0.81 SLC6A4 (0.39) ALDH1A1SLC6A4
SCHEMBL5611721 0.81 ALDH1A1 (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17291892 0.79 TSHR (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5387915 0.79 ADH1B (0.57) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2363865 0.78 ALDH1A1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27627472 0.76 FAAH (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2363697 0.76 FAAH (0.44) ADH1BADH1CADH1AADH4ADH7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 WO disclosed
US-5760091-A ADDING TO SEAWATER SYSTEM AN AMINE COMPOUND AND A POLYAMINE COMPOUND KATAYAMA CHEMICAL, INC. (JP) 1998-06-02 US disclosed