SCHEMBL9685053

SCHEMBL9685053

O=C(O)c1ccc2c3cccc4cc5c(=O)oc(=O)c5c(c5cccc1c25)c43

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.43
GPR35 Q9HC97 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
TSHR P16473 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41

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
SCHEMBL9684865 0.86 TYMS (0.48) TYMSGPR35CA12CA1CA3
SCHEMBL913459 0.81 CYP1A2 (0.42) TYMSMAOBALDH1A1HPGDKDM4E
SCHEMBL4251159 0.80 TDP1 (0.38) TYMSMAOACYP1A2KMT2ATDP1
SCHEMBL3951847 0.77 NR4A1 (0.51) TYMSGPR35ALDH1A1HPGDNR4A1
SCHEMBL4261364 0.76 KDM4E (0.40) GPR35CA1CA9TSHRALDH1A1
SCHEMBL5208959 0.76 TYMS (0.41) TYMSMAOBMAOACYP1A2KMT2A
SCHEMBL9521993 0.75 GPR35 (0.47) TYMSGPR35ALDH1A1HPGDLMNA
SCHEMBL709222 0.75 HSD17B10 (0.41) TYMSGPR35CA12CA1CA3
SCHEMBL17525553 0.75 ALDH1A1 (0.52) TYMSCA12CA1CA3CA4
SCHEMBL8601022 0.75 NR4A1 (0.59) TYMSTSHRALDH1A1HPGDNR4A1

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