SCHEMBL11362917

SCHEMBL11362917

C=CCC(O)(c1ccccc1)c1cc(Cl)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ HPGD P15428 3/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ HTT P42858 6/20 0.38
▸ BCL2 P10415 1/20 0.37
▸ HSP90AA1 P07900 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ LMNA P02545 3/20 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
SCHEMBL11373504 0.81 BCL2 (0.42) TSHRMEN1KMT2AHPGDALOX15
SCHEMBL11364794 0.79 MEN1 (0.47) ALDH1A1MEN1KMT2AHPGDALOX15
SCHEMBL11366867 0.78 HSD17B10 (0.38) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL1985443 0.76 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL11370625 0.72 HSP90AA1 (0.50) ALDH1A1TSHRMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL19583287 0.71 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL11035091 0.70 ESR1 (0.51) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL9286623 0.70 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL11377663 0.70 CNR1 (0.42) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL11363606 0.70 HSD17B10 (0.43) ALDH1A1TSHRMEN1KMT2AHPGD

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-4281012-A HYPOLIPEMIC ACTIVITY ROUSSEL UCLAF (FR) 1981-07-28 — — US disclosed
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