SCHEMBL14280786

SCHEMBL14280786

CC(C)(C)c1cccc(C(C)(C)C)c1/N=C/c1cccc(/C=N/c2c(C(C)(C)C)cccc2C(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
PLA2G1B P04054 1/20 0.49
MAPT P10636 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
ALOX12 P18054 1/20 0.39
CA2 P00918 1/20 0.38
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR4A1 P22736 1/20 0.32
MAOA P21397 1/20 0.31
CTH P32929 1/20 0.30

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
SCHEMBL27993706 0.83 NR4A1 (0.54) ALDH1A1PLA2G1BMAPTATG4BNR4A1
SCHEMBL16077906 0.82 ALDH1A1 (0.70) ALDH1A1PLA2G1BMAPTATG4BALOX12
SCHEMBL242956 0.76 CA2 (0.46) ALDH1A1PLA2G1BMAPTATG4BALOX12
SCHEMBL242955 0.76 CA2 (0.46) ALDH1A1PLA2G1BMAPTATG4BALOX12
SCHEMBL27993708 0.75 NR4A1 (0.49) ALDH1A1PLA2G1BMAPTATG4BGABRA1
SCHEMBL16077907 0.75 CTH (0.36) ALDH1A1PLA2G1BMAPTATG4BTSHR
SCHEMBL5589354 0.75 CTH (0.36) ALDH1A1PLA2G1BMAPTATG4BTSHR
SCHEMBL5589346 0.75 CTH (0.36) ALDH1A1PLA2G1BMAPTATG4BTSHR
SCHEMBL20954046 0.74 CA2 (0.44) ALDH1A1PLA2G1BMAPTATG4BALOX12
SCHEMBL20211348 0.74 CA2 (0.44) ALDH1A1PLA2G1BMAPTATG4BALOX12

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-9695260-B2 Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-04 US disclosed
US-20140275429-A1 METHOD FOR PRODUCING OLEFIN BLOCK POLYMER USING PLURALITY OF TYPES OF TRANSITION METAL CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 US disclosed
US-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 US disclosed