SCHEMBL20711129

SCHEMBL20711129

C=CCCCNCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
EBP Q15125 1/20 0.31

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
SCHEMBL15346171 0.86
SCHEMBL25123891 0.81 TSHR (0.39) TSHRALDH1A1
SCHEMBL18951096 0.80 TSHR (0.37) TSHRALDH1A1LMNAEBP
SCHEMBL7673247 0.79 ADH1B (0.48) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL2478778 0.77 HRH4 (0.42) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL1242598 0.77 TSHR (0.45) TSHRALDH1A1CA2LMNACYP1A2
SCHEMBL9624660 0.77 HRH4 (0.47) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL2483497 0.75 HRH4 (0.48) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL10045260 0.75 CYP2C19 (0.45) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL24379824 0.75 HRH4 (0.48) TSHRALDH1A1ADH1BADH1CADH1A

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-2023055920-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2023-04-06 WO disclosed
US-20190043635-A1 PHOTOSENSITIVE REDUCIBLE SILVER ION-CONTAINING COMPOSITIONS KODAK AVIATION LEASING LLC 2019-02-07 US disclosed