SCHEMBL139428

SCHEMBL139428

C=[Zr](Cl)(Cl)(C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2A6 P11509 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TDP2 O95551 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
HTT P42858 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7724265 0.85 KDM1A (0.32) DHFRCA12CA1CA2CA9
SCHEMBL137885 0.84 ENPP3 (0.32) DHFRCA12CA1CA2CA9
SCHEMBL135958 0.84 HTR7 (0.31) DHFRHTR7
SCHEMBL5951278 0.84 CA12 (0.31) DHFRCA12CA1CA2CA9
SCHEMBL339002 0.84 KDM1A (0.31) DHFRCA12CA1CA2CA9
SCHEMBL5854312 0.84 PTPN1 (0.32) DHFRCA12CA1CA2CA9
SCHEMBL5836702 0.84 MTNR1A (0.33) DHFRCA12CA1CA2CA9
SCHEMBL7150484 0.82 CA12 (0.33) DHFRCA12CA1CA2CA9
SCHEMBL139977 0.82 HTR7 (0.32) HTR7
SCHEMBL1023548 0.82

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-8513368-B2 Copolymer of olefin and conjugated diene, and process for producing the same MITSUI CHEMICALS, INC. (JP) 2013-08-20 US disclosed
US-20120059135-A1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS, INC. (JP) 2012-03-08 US disclosed
US-6900343-B1 Method for the purification of metallocenes BASELL POLYOLEFINE GMBH (DE) 2005-05-31 US disclosed