SCHEMBL11076554

SCHEMBL11076554

CN(C)CCCC1(C)CCc2cccc(O)c2O1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.50
PDPK1 O15530 3/20 0.44
PHLPP1 O60346 3/20 0.44
ILK Q13418 3/20 0.44
LMNA P02545 2/20 0.43
NR1I2 O75469 2/20 0.38
ALOX5 P09917 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL11075163 0.87 AKT1 (0.46) AKT1PDPK1PHLPP1ILK
SCHEMBL11244215 0.82 AKT1 (0.50) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL11075657 0.81 LMNA (0.42) LMNAHTR1AHTR1BHTR2AHTR2C
SCHEMBL11078511 0.80 POLB (0.41) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL9094646 0.78 AKT1 (0.67) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL11081507 0.74 AKT1 (0.70) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL27456056 0.73 HTR1A (0.39) AKT1PDPK1PHLPP1ILKHTR1A
SCHEMBL9749197 0.73 SSTR5 (0.37) AKT1LMNAHTR1AHTR1BHTR2A
SCHEMBL8747767 0.70 MAPT (0.63) LMNANR1I2ALOX5
SCHEMBL8747826 0.70 AKT1 (0.66) AKT1PDPK1PHLPP1ILKLMNA

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
US-4452801-A ANTIINFLAMMATORY AGENTS, ANTICOAGULATNS, ANTIALLERGENS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-06-05 US disclosed
US-4360532-A ANTIINFLAMMATORY AGENTS, ANTICOAGULANTS, ANTIALLERGENS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-11-23 US disclosed
US-4321270-A ANTIINFLAMMATORY AGENT, ANTIAGGLOMERANTS, AND HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-03-23 US disclosed