SCHEMBL11761689

SCHEMBL11761689

CCC(CC)(c1ccc2ccccc2c1)P(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.60
▸ CETP P11597 1/20 0.41
▸ PTPRC P08575 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 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
SCHEMBL11762641 0.93 PTPN1 (0.52) PTPN1PTPRC
SCHEMBL11759232 0.85 PTPN1 (0.45) PTPN1PTPRC
SCHEMBL3390400 0.80 PGK1 (0.52) PTPN1PTPRC
SCHEMBL7870277 0.80 PGK1 (0.44) PTPN1
SCHEMBL11760531 0.79 PTPN1 (0.49) PTPN1PTPRC
SCHEMBL8992156 0.79 PTPN5 (0.43) PTPN1CYP1A2RAB9ANPC1
SCHEMBL1556937 0.78 PTPN1 (0.52) PTPN1HDAC1
Hydrogen Peroxide SCHEMBL8609891 0.78 PTPN1 (0.52) PTPN1HDAC1
SCHEMBL9398056 0.77 PTPN1 (0.66) PTPN1PTPRCRAB9ANPC1
SCHEMBL11759783 0.77 PTPN1 (0.46) PTPN1CETP

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
US-4061681-A Method for the preparation of mono- or poly [dialkyl or dicycloalkylphosphonylmethyl] aromatic carbocyclic compounds AMERICAN CYANAMID COMPANY (US) 1977-12-06 — — US disclosed
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