SCHEMBL10897552

SCHEMBL10897552

CCCCCC(=O)OC1=C(c2ccc(C)cc2Cl)C(=O)C2CCCCC12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HPGD P15428 3/20 0.38
▸ NAAA Q02083 2/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLM Q9NP87 1/20 0.33
▸ POLK Q9UBT6 1/20 0.33
▸ POLL Q9UGP5 1/20 0.33
▸ POLH Q9Y253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RECQL P46063 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
SCHEMBL10729616 0.80 KMT2A (0.43) KMT2ASMN1; SMN2MEN1TDP1ALDH1A1
SCHEMBL10951360 0.79 KMT2A (0.47) KMT2ASMN1; SMN2MEN1TDP1ALDH1A1
SCHEMBL10896926 0.77 KMT2A (0.39) KMT2ASMN1; SMN2MEN1TDP1ALDH1A1
SCHEMBL10950173 0.76 KMT2A (0.45) KMT2ASMN1; SMN2MEN1TDP1ALDH1A1
SCHEMBL10949847 0.75 KMT2A (0.41) KMT2ASMN1; SMN2MEN1TDP1ALDH1A1
SCHEMBL10899959 0.65 KMT2A (0.41) KMT2ASMN1; SMN2MEN1TDP1ALDH1A1
SCHEMBL5326389 0.64 KMT2A (0.58) KMT2ASMN1; SMN2MEN1ALDH1A1SLC6A3
SCHEMBL15558256 0.64 ALOX15 (0.65) KMT2ASMN1; SMN2MEN1TDP1NPC1
SCHEMBL10731415 0.63 HPGD (0.39) KMT2ASMN1; SMN2TDP1ALDH1A1MAPK1
SCHEMBL3505506 0.63 KMT2A (0.61) KMT2ASMN1; SMN2MEN1ALDH1A1SLC6A3

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
US-4632698-A MITICIDES; HERBICIDES UNION CARBIDE CORPORATION (US) 1986-12-30 — — US disclosed
US-4551547-A HERBICIDES UNION CARBIDE CORPORATION (US) 1985-11-05 — — US disclosed
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