SCHEMBL10947331

SCHEMBL10947331

CCCCCC(=O)OC1=C(c2ccc(C)cc2)C(=O)CC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ POLM Q9NP87 1/20 0.35
▸ POLK Q9UBT6 1/20 0.35
▸ POLL Q9UGP5 1/20 0.35
▸ POLH Q9Y253 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ MGAT2 Q10469 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ THRB P10828 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
SCHEMBL10948746 0.99 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL10945217 0.99 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL10946309 0.99 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL10951881 0.89 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1NPSR1POLM
SCHEMBL10946604 0.89 GAA (0.39) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL10942813 0.88 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1NPSR1POLM
SCHEMBL10945418 0.87 KMT2A (0.38) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL10733838 0.84 KMT2A (0.38) KMT2ASMN1; SMN2ALDH1A1HPGDCYP19A1
SCHEMBL10950579 0.84 HPGD (0.41) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL10951657 0.83 TOP2A (0.41) KMT2ASMN1; SMN2HPGDNPSR1POLM

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-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
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