SCHEMBL2586866

SCHEMBL2586866

CCCCCCCCSc1nc(Nc2ccc(O)c(CCCC)c2)nc(SCCCCCCCC)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ TYR P14679 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GPR84 Q9NQS5 7/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 2/20 0.34

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
SCHEMBL1925518 0.87 GPR84 (0.37) CCNE1CDK2MAPTALOX5GPR84
SCHEMBL3328605 0.84 ALOX5 (0.37) TYRCYP3A4MAPTMEN1TP53
SCHEMBL21821559 0.83 CCNE1 (0.36) CCNE1CDK2TYRCYP3A4ALOX15
SCHEMBL9418551 0.83 CCNE1 (0.36) CCNE1CDK2TYRCYP3A4ALOX15
SCHEMBL3284127 0.83 CCNE1 (0.36) CCNE1CDK2TYRCYP3A4ALOX15
SCHEMBL1271005 0.81 CCNE1 (0.44) CCNE1CDK2CYP3A4MAPTTP53
SCHEMBL10015711 0.77 SMN1; SMN2 (0.38) CCNE1CDK2MAPTMEN1TSHR
SCHEMBL2211671 0.77 GPR84 (0.39) CCNE1CDK2MAPTMEN1TP53
SCHEMBL21708438 0.76 SMN1; SMN2 (0.36) CCNE1CDK2MAPTMEN1TSHR
SCHEMBL20533612 0.75 PTGS1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632983-A1 THERMOPLASTIC GEL SEALANTS Tyco Electronics Corporation (US) 2013-09-04 — — EP disclosed
EP-2629615-A1 SLOW-RELEASE FORMULATIONS OF 5-HYDROXYTRYPTOPHAN AS AN ADJUNCT TO PRO-SEROTONERGIC THERAPIES Duke University (US) 2013-08-28 — — EP disclosed
WO-2012058087-A1 THERMOPLASTIC GEL SEALANTS TYCO ELECTRONICS CORPORATION (US) 2012-05-03 — — WO disclosed
WO-2012054815-A1 SLOW-RELEASE FORMULATIONS OF 5-HYDROXYTRYPTOPHAN AS AN ADJUNCT TO PRO-SEROTONERGIC THERAPIES DUKE UNIVERSITY (US) 2012-04-26 — — WO disclosed
CN-102356123-A Flame-retardant expandable styrene resin composition DAI ICHI KOGYO SEIYAKU CO LTD 2012-02-15 — — CN disclosed
WO-2011137321-A1 THICKENED COMPOSITONS OF HIGH PH ISP INVESTMENTS INC. (US) 2011-11-03 — — WO disclosed
EP-1713486-A4 COMBINATION THERAPY FOR DEMENTIA,DEPRESSION AND APATHY SHELDON LESLIE JAMES (CA) 2009-04-29 — — EP disclosed
EP-1746985-A2 METHOD FOR AUGMENTING THE EFFECTS OF SEROTONIN REUPTAKE INHIBITORS DUKE UNIVERSITY (US) 2007-01-31 — — EP disclosed
EP-1713486-A1 COMBINATION THERAPY FOR DEMENTIA,DEPRESSION AND APATHY Sheldon, Leslie James (CA) 2006-10-25 — — EP disclosed
WO-2005112906-A2 METHOD FOR AUGMENTING THE EFFECTS OF SEROTONIN REUPTAKE INHIBITORS DUKE UNIVERSITY (US) 2005-12-01 — — WO disclosed
WO-2005053703-A1 COMBINATION THERAPY FOR DEMENTIA, DEPRESSION AND APATHY SHELDON LESLIE JAMES (CA) 2005-06-16 — — WO disclosed
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