SCHEMBL8988924

SCHEMBL8988924

CC1CCC(C(C)C)C(OP(=O)(OC2CC(C)CCC2C(C)C)OP(=O)(O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
LMNA P02545 4/20 0.52
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
EPHX1 P07099 3/20 0.44
TRPA1 O75762 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.40
CYP19A1 P11511 2/20 0.40
NFE2L2 Q16236 1/20 0.39
KCNA5 P22460 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL8988667 0.91 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8988670 0.88 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL15647383 0.88 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL2937641 0.87 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL2935357 0.87 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL11352601 0.87 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8987733 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8988919 0.84 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL9484139 0.84 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E
Menthol SCHEMBL15647033 0.76 TRPM8 (0.70) ALDH1A1LMNAMEN1KMT2AKDM4E

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
EP-0719129-A1 PYROPHOSPHATE DIESTERS FOR TARTAR CONTROL THE PROCTER & GAMBLE COMPANY (US) 1996-07-03 EP disclosed
WO-1995007684-A1 PYROPHOSPHATE DIESTERS FOR TARTAR CONTROL THE PROCTER & GAMBLE COMPANY (US) 1995-03-23 WO disclosed