SCHEMBL29336966

SCHEMBL29336966

O=C(COCCC1=C(CCOCC(=O)ON2C(=O)CCC2=O)C1)NCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HPGD P15428 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PTBP1 P26599 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL29336962 0.90 HPGD (0.40) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL29335333 0.77 SMN1; SMN2 (0.41) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL9002622 0.72 EPHX1 (0.45) KMT2AEPHX1RAB9ANPC1HDAC6
SCHEMBL12743131 0.70 ADORA3 (0.33) —
SCHEMBL16303082 0.69 ADORA3 (0.32) PSMB8
SCHEMBL24621700 0.69 ADORA3 (0.33) —
SCHEMBL17167184 0.69 ADORA3 (0.33) —
SCHEMBL9752033 0.68 L3MBTL1 (0.41) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL25942541 0.68 ALOX12 (0.30) —
SCHEMBL24593481 0.68 L3MBTL1 (0.41) ALDH1A1KMT2AMEN1HPGDMAPT

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
WO-2024150132-A1 LIGAND-DRUG CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2024-07-18 — — WO disclosed
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