SCHEMBL15527231

SCHEMBL15527231

CCCP(C=C(C)c1ccccc1)CCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
CES2 O00748 6/20 0.36
CES1 P23141 6/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
DEGS1 O15121 1/20 0.33
AKT1 P31749 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL15527616 0.86 CES2 (0.42) CES2CES1PTGS2
SCHEMBL15364154 0.84 CES2 (0.38) CES2CES1ATMLMNAPTGS2
SCHEMBL15527470 0.84 KDM1A (0.39) KDM1ACES2CES1ATMLMNA
SCHEMBL15527450 0.73 KDM1A (0.42) KDM1ACES2CES1DEGS1AKT1
SCHEMBL15364808 0.70 CES2 (0.45) CES2CES1PTGS2
SCHEMBL15364144 0.70 CES2 (0.45) CES2CES1PTGS2
SCHEMBL30705332 0.70 KDM1A (0.44) KDM1ACES2CES1MTNR1AMTNR1B
SCHEMBL15527332 0.69 KDM1A (0.40) KDM1ACES2CES1DEGS1ESR1
SCHEMBL10907609 0.69 CYP1A2 (0.42) KDM1ACES2CES1ATMLMNA
SCHEMBL9757698 0.69 CYP1A2 (0.42) KDM1ACES2CES1ATMLMNA

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-2844678-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY Bridgestone Corporation (JP) 2015-03-11 EP disclosed
WO-2013166124-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY BRIDGESTONE CORPORATION (JP) 2013-11-07 WO disclosed