SCHEMBL9684865

SCHEMBL9684865

O=C(O)c1ccc2c3cccc4c5c(=O)oc(=O)c5cc(c5cccc1c25)c34

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.48
GPR35 Q9HC97 3/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
CAMKK1 Q8N5S9 2/20 0.40
CAMKK2 Q96RR4 2/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 2/20 0.40
CASP6 P55212 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9685053 0.86 TYMS (0.43) TYMSGPR35ALDH1A1KDM4ECAMKK1
SCHEMBL15119581 0.84 CES1 (0.42) GPR35ALDH1A1KDM4EPOLBRECQL
SCHEMBL9521993 0.80 GPR35 (0.47) TYMSGPR35ALDH1A1KDM4EPOLB
SCHEMBL28007 0.79 TYMS (0.58) TYMSALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL29450078 0.79 TYMS (0.58) TYMSALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL28989 0.79 TYMS (0.58) TYMSALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL15119571 0.78 TDP1 (0.41) TYMSALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL14052567 0.77 TYMS (0.56) TYMSALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL11335171 0.77 TYMS (0.56) TYMSALDH1A1KDM4ECAMKK1CAMKK2
Hydrochloric Acid SCHEMBL8901377 0.77 TYMS (0.56) TYMSALDH1A1KDM4ECAMKK1CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157097-A Reacting aromatic tricarboxylic acids, diisocyanates, diamines and end-blocking compounds; high glass transition temperature, heat resistant, melt moldable MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-10-20 US disclosed
EP-0472421-A2 Polyamide-imide resins and process of producing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-02-26 EP disclosed