Hexane

Hexane

SCHEMBL9090041

CCCCCC.CCOC(=O)Cn1cnc(NC(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ AGTR1 P30556 1/20 0.45
▸ AGTR2 P50052 1/20 0.45
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ PTPRF P10586 1/20 0.39
▸ PTPN2 P17706 1/20 0.39

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
Hexane SCHEMBL9089037 0.89 MAPT (0.43) KMT2AMEN1L3MBTL1KDM4EAGTR1
Hexane SCHEMBL9371099 0.88 AGTR1 (0.61) AGTR1AGTR2MAPTRAB9ASMN1; SMN2
Hexane SCHEMBL9091640 0.88 MEN1 (0.51) KMT2AMEN1L3MBTL1KDM4EAGTR1
Hexane SCHEMBL9090189 0.87 PTPN1 (0.43) KMT2AMEN1L3MBTL1KDM4EAGTR1
Hexane SCHEMBL9089999 0.81 SORT1 (0.47) AGTR1AGTR2PLK1
Hexane SCHEMBL9091773 0.81 AGTR1 (0.46) KMT2AMEN1L3MBTL1KDM4EAGTR1
SCHEMBL9090023 0.79 AGTR1 (0.64) KMT2AMEN1L3MBTL1KDM4EAGTR1
Hexane SCHEMBL9088251 0.78 RAB9A (0.39) KMT2AMEN1KDM4EMAPTPOLB
Hexane SCHEMBL9090696 0.77 BCAT2 (0.47) KMT2AMEN1L3MBTL1KDM4EAGTR1
Hexane SCHEMBL9090195 0.75 PLA2G4A (0.55) KMT2AMEN1L3MBTL1KDM4EMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571925-A HORMONES INHIBITORS FOR HYPOTENSIVE AGENTS ELI LILLY AND COMPANY (US) 1996-11-05 — — US disclosed
US-5563278-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1996-10-08 — — US disclosed
EP-0438869-B1 Improvements in and relating to angiotensin II antagonists LILLY CO ELI (US) 1994-12-14 — — EP disclosed
US-5073566-A Hypotensive agents ELI LILLY AND COMPANY (US) 1991-12-17 — — US disclosed
EP-0438869-A1 Improvements in and relating to angiotensin II antagonists ELI LILLY AND COMPANY (US) 1991-07-31 — — EP disclosed
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