SCHEMBL11034399

SCHEMBL11034399

CCC[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H]3CC[C@H](OC(=O)c4cccc(F)c4)CC3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.58
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ PTPN1 P18031 3/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AR P10275 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38

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
SCHEMBL11042348 1.00 KMT2A (0.58) KMT2ALMNAMEN1PTPN1PTPN2
SCHEMBL11042319 1.00 KMT2A (0.58) KMT2ALMNAMEN1PTPN1PTPN2
SCHEMBL11270692 0.92 KMT2A (0.55) KMT2ALMNAMEN1PTPN1PTPN2
SCHEMBL11041684 0.92 KMT2A (0.55) KMT2ALMNAMEN1PTPN1PTPN2
SCHEMBL11041683 0.92 KMT2A (0.55) KMT2ALMNAMEN1PTPN1PTPN2
SCHEMBL6696396 0.86 CYP2C9 (0.44) KMT2ALMNAMEN1PTPN1PTPN2
SCHEMBL5835906 0.86 CYP2C9 (0.44) KMT2ALMNAMEN1PTPN1PTPN2
SCHEMBL6696392 0.86 CYP2C9 (0.44) KMT2ALMNAMEN1PTPN1PTPN2
SCHEMBL10799986 0.86 CYP2C9 (0.44) KMT2ALMNAMEN1PTPN1PTPN2
SCHEMBL8474335 0.85 MEN1 (0.52) KMT2ALMNAMEN1CYP2C9TDP1

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
JP-59110653-A — — None — — JP disclosed
JP-S59110653-A HALOGEN-CONTAINING TERCYCLOHEXANOL DERIVATIVE CHISSO CORP 1984-06-26 — — JP disclosed
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