SCHEMBL9342007

SCHEMBL9342007

O=C(O)C(C(=O)O)(C(=O)O)C(C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
KCNN4 O15554 4/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL9617044 0.87 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL29161091 0.80 ELANE (0.41) CYP1A2MAPTKMT2AALDH1A1KCNN4
SCHEMBL14354433 0.78 MAPT (0.50) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL4591516 0.78 CYP1A2 (0.48) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL9240909 0.78 MAPT (0.50) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL28380853 0.76 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL5012477 0.76 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL11687748 0.73 MAPT (0.50) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL27642 0.70 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL45520 0.70 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2AALDH1A1

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
EP-0335595-B1 Thermoplastic polyester resin composition and molded articles produced therefrom MITSUBISHI CHEM IND (JP) 1994-06-08 EP disclosed
US-4965302-A DIIMIDE ULTRAVIOLET SCREENING COMPOUND MITSUBISHI KASEI CORPORATION (JP) 1990-10-23 US disclosed
EP-0335595-A2 Thermoplastic polyester resin composition and molded articles produced therefrom MITSUBISHI KASEI CORPORATION (JP) 1989-10-04 EP disclosed