SCHEMBL11525918

SCHEMBL11525918

C=C1C=CCC2C(=O)N(CCCCCCCC)C(=O)C12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.45
CNR1 P21554 1/20 0.45
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
MGLL Q99685 3/20 0.44
FAAH O00519 1/20 0.44
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP19A1 P11511 5/20 0.38

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
SCHEMBL11592116 1.00 CNR2 (0.45) CNR2CNR1PTGS1PTGS2MGLL
SCHEMBL11528098 1.00 CNR2 (0.45) CNR2CNR1PTGS1PTGS2MGLL
SCHEMBL11533146 1.00 CNR2 (0.45) CNR2CNR1PTGS1PTGS2MGLL
SCHEMBL11594278 0.99 CNR2 (0.43) CNR2CNR1PTGS1PTGS2MGLL
SCHEMBL11529894 0.94 SMN1; SMN2 (0.40) CNR2CNR1PTGS1PTGS2MGLL
SCHEMBL11583580 0.89 ATM (0.35) CNR2MEN1ALDH1A1ESR1POLB
SCHEMBL11584760 0.83 ALDH1A1 (0.38) MGLLALDH1A1BLMKMT2ATDP1
SCHEMBL7453826 0.81 KMT2A (0.53) CNR2CNR1PTGS1PTGS2MGLL
SCHEMBL11860195 0.79 ALDH1A1 (0.50) CNR2CNR1PTGS1PTGS2MGLL
Ammonia Solution, Strong SCHEMBL9180826 0.78 ALDH1A1 (0.49) CNR2CNR1PTGS1PTGS2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4080491-A CATALYST CONTAINS ORGANOMETALLIC COMPOUND AND THE REACTION PRODUCT OF TUNGSTEN OR MOLYBDENUM OXIDE AND A PHOSPHOROUS HALIDE OR OXYHALIDE SHOWA DENKO K.K. (JA) 1978-03-21 US claimed
US-4132750-A RING OPENING POLYMERIZATION OF NORBORNENE DERIVATIVES SHOWA DENKO K.K. (JP) 1979-01-02 US disclosed
US-4080491-A CATALYST CONTAINS ORGANOMETALLIC COMPOUND AND THE REACTION PRODUCT OF TUNGSTEN OR MOLYBDENUM OXIDE AND A PHOSPHOROUS HALIDE OR OXYHALIDE SHOWA DENKO K.K. (JA) 1978-03-21 US disclosed
US-4028482-A LOW VISCOSITY POLYALKENAMER SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-06-07 US disclosed
US-3959234-A CATALYSTS OF ORGANOALUMINUM COMPOUNDS AND A TUNGSTEN OR MOLYBDENUM COMPOUND, RING-OPENING SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-05-25 US disclosed