SCHEMBL31299525

SCHEMBL31299525

C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CCO)NC(=O)[C@H](CO)NC(=O)CNC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT2 O75908 4/20 0.48
▸ SOAT1 P35610 3/20 0.48
▸ HDAC1 Q13547 7/20 0.45
▸ HDAC3 O15379 5/20 0.45
▸ HDAC2 Q92769 5/20 0.45
▸ HDAC10 Q969S8 5/20 0.45
▸ HDAC11 Q96DB2 5/20 0.45
▸ ITGB3 P05106 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ HDAC8 Q9BY41 3/20 0.43
▸ NCOR1 O75376 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ GHSR Q92847 1/20 0.42

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
SCHEMBL31197218 0.77 SOAT2 (0.53) SOAT2SOAT1HDAC1HDAC3HDAC2
SCHEMBL31197219 0.77 SOAT2 (0.53) SOAT2SOAT1HDAC1HDAC3HDAC2
SCHEMBL15186063 0.77 CTSD (0.48) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL17307116 0.77 CTSD (0.48) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL30912331 0.76 SOAT2 (0.50) SOAT2SOAT1HDAC1HDAC3HDAC2
Segetalin D SCHEMBL151348 0.73 HDAC4 (0.54) SOAT2SOAT1HDAC1HDAC3HDAC2
SCHEMBL24739370 0.73 KEAP1 (0.46) SOAT2SOAT1ITGB3ITGAVITGA2B
SCHEMBL1673516 0.73 HDAC8 (0.57) ITGB3ITGAVITGA2BHDAC8GHSR
SCHEMBL7304234 0.73 HDAC8 (0.57) ITGB3ITGAVITGA2BHDAC8GHSR
SCHEMBL1598687 0.73 HDAC8 (0.57) ITGB3ITGAVITGA2BHDAC8GHSR

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-2024217618-A1 MOTOR VEHICLE LOCK KIEKERT AKTIENGESELLSCHAFT (DE) 2024-10-24 — — WO disclosed
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