SCHEMBL29953593

SCHEMBL29953593

O=CCSCC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
EPHX1 P07099 1/20 0.32
METAP2 P50579 2/20 0.31
TBXA2R P21731 1/20 0.31
DAO P14920 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL11371682 0.90
SCHEMBL29954263 0.77 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8976389 0.76 EPHX1 (0.35) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7597476 0.74 CYP1A2 (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10311789 0.74 ALOX5 (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27475440 0.73 EPHX1 (0.39) ADH1BADH1CADH1AADH4ADH7
Ammonia Solution, Strong SCHEMBL28811026 0.73 EPHX1 (0.34) EPHX1TBXA2RDAOCHRM2CHRM4
SCHEMBL7440315 0.73 EPHX1 (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2186952 0.71 MEN1 (0.36)
SCHEMBL2185488 0.71 MEN1 (0.36)

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed