SCHEMBL9629720

SCHEMBL9629720

CC1CCC(OP(=O)(OC2CCC(C)CC2)OC2CCC(C)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
INPP5A Q14642 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL159142 0.86 INPP5A (0.37) ACHEINPP5A
SCHEMBL9484912 0.80 INPP5A (0.38) ACHEINPP5ACYP19A1
SCHEMBL25019698 0.80 INPP5A (0.52) ACHEINPP5ACYP19A1
SCHEMBL22171418 0.75 SRC (0.40)
SCHEMBL156375 0.75 ACHE (0.50) ACHEINPP5A
SCHEMBL158530 0.75 ACHE (0.44) ACHEINPP5A
SCHEMBL158755 0.72 ACHE (0.54) ACHE
SCHEMBL145689 0.72 ACHE (0.54) ACHE
SCHEMBL31427640 0.72 ACHE (0.54) ACHE
SCHEMBL159389 0.72 ACHE (0.54) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349093-B1 PHOSPHATE ESTER LUBRICANTS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-03-18 EP disclosed
EP-0349093-A1 Phosphate ester lubricants SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-01-03 EP disclosed
US-4431552-A EXTREME PRESSURE LUBRICANTS; WEAR RESISTANCE CHEVRON RESEARCH COMPANY (US) 1984-02-14 US disclosed