SCHEMBL30938122

SCHEMBL30938122

O=C(O)CCCCCCCCOc1cccc(-c2csc(N3CCOCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ ALDH1A1 P00352 5/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ HDAC3 O15379 5/20 0.51
▸ HDAC4 P56524 5/20 0.51
▸ HDAC1 Q13547 5/20 0.51
▸ HDAC7 Q8WUI4 5/20 0.51
▸ HDAC2 Q92769 5/20 0.51
▸ HDAC10 Q969S8 5/20 0.51
▸ HDAC11 Q96DB2 5/20 0.51
▸ HDAC8 Q9BY41 5/20 0.51
▸ HDAC6 Q9UBN7 5/20 0.51
▸ HDAC9 Q9UKV0 5/20 0.51
▸ HDAC5 Q9UQL6 5/20 0.51
▸ MAPT P10636 7/20 0.48
▸ LMNA P02545 5/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL30938128 0.88 AR (0.56) ARSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL24939664 0.87 AR (0.60) ARSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL24939663 0.79 MEN1 (0.57) ARSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL24939661 0.79 AR (0.53) ARSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL22263324 0.76 AR (0.66) ARSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL30938129 0.76 AR (0.66) ARSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL30908047 0.75 MAPT (0.43) SMN1; SMN2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL26458261 0.75 AR (0.67) ARSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL27315641 0.74 AR (0.62) ARSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL24939659 0.73 AR (0.71) ARSMN1; SMN2RAB9ANPC1ALDH1A1

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-2024102810-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR MONTELINO THERAPEUTICS, INC. (US) 2024-05-16 — — WO disclosed
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