SCHEMBL2118609

SCHEMBL2118609

CCC(C)(O)C#Cc1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
PGK1 P00558 1/20 0.35
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
TTBK1 Q5TCY1 4/20 0.31
TTBK2 Q6IQ55 2/20 0.31
MAP3K14 Q99558 2/20 0.31
CCNB2 O95067 2/20 0.30
CDK1 P06493 2/20 0.30
CCNB1 P14635 2/20 0.30
CDK5 Q00535 2/20 0.30
CCNB3 Q8WWL7 2/20 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
SCHEMBL2114432 0.83 MAPT (0.34) MAPTKMT2AATM
SCHEMBL11048323 0.81 MAPT (0.64) MAPTPGK1KMT2ACCNB2CDK1
SCHEMBL2117150 0.80 ASIC3 (0.41) MAPTKMT2AATMMAP3K14
SCHEMBL2116984 0.80 MAPT (0.43) MAPTPGK1KMT2AATMCCNB2
SCHEMBL5958205 0.76 HRH3 (0.38) MAPTKMT2AATM
SCHEMBL11550517 0.74 MAPT (0.41) MAPTPGK1KMT2ACCNB2CDK1
SCHEMBL11549319 0.74 MAPT (0.41) MAPTPGK1
SCHEMBL11551589 0.74 MAPT (0.41) MAPTPGK1KMT2AATM
SCHEMBL11443601 0.71 ALDH1A1 (0.47) MAPTKMT2A
SCHEMBL11556810 0.70 MAPT (0.38) MAPTCCNB2CDK1CCNB1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555053-B1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION TORAY INDUSTRIES (JP) 2017-10-18 EP disclosed
EP-2555053-A1 Positive-type photosensitive resin composition Toray Industries, Inc. (JP) 2013-02-06 EP disclosed
EP-2110708-B1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION TORAY INDUSTRIES (JP) 2012-12-05 EP disclosed
CN-101611350-B Positive-type photosensitive resin composition TORAY IND JP 2012-08-08 CN disclosed
US-8158324-B2 Positive-type photosensitive resin composition TORAY INDUSTRIES, INC. (JP) 2012-04-17 US disclosed
US-20100099041-A1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 2010-04-22 US disclosed
CN-101611350-A Positive type photosensitive organic compound TORAY INDUSTRIES (JP) 2009-12-23 CN disclosed
EP-2110708-A1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION Toray Industries, Inc. (JP) 2009-10-21 EP disclosed