SCHEMBL18509716

SCHEMBL18509716

CSc1cccc2c1c(CCC(=O)O)cn2C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 7/20 0.46
CTSG P08311 2/20 0.46
KDM4E B2RXH2 1/20 0.44
HTR2C P28335 6/20 0.43
HTR2B P41595 6/20 0.43
HTR2A P28223 5/20 0.43
EGFR P00533 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC6 Q9UBN7 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL21392216 0.82 CMA1 (0.64) CMA1CTSGHTR2CHTR2BHTR2A
SCHEMBL20119869 0.82 HTR2C (0.63) CMA1CTSGKDM4EHTR2CHTR2B
SCHEMBL18509533 0.81 MCL1 (0.51) CMA1CTSGHTR2CHTR2BHTR2A
SCHEMBL18509674 0.81 CMA1 (0.47) CMA1CTSGKDM4EHTR2CHTR2B
SCHEMBL20120027 0.81 CMA1 (0.47) CMA1CTSGKDM4EHTR2CHTR2B
SCHEMBL18509797 0.81 CMA1 (0.47) CMA1CTSGKDM4EHTR2CHTR2B
SCHEMBL18509808 0.80 PTGER1 (0.50) CMA1CTSGKDM4EHTR2CHTR2B
SCHEMBL18509795 0.78 HTR2C (0.50) CMA1CTSGKDM4EHTR2CHTR2B
SCHEMBL18509904 0.78 CMA1 (0.41) CMA1CTSGKDM4EEGFRMEN1
SCHEMBL18029079 0.78 MAPT (0.46) CMA1CTSGKDM4EHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO disclosed