SCHEMBL7637604

SCHEMBL7637604

CC(C)(C)c1cccc(C(C)(C)C)c1C(O)CCO.OP(O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RIPK1 Q13546 1/20 0.33
RBP4 P02753 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 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
SCHEMBL1101362 0.86 CA2 (0.42) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1100187 0.81 SMN1; SMN2 (0.41) CA2ALDH1A1
SCHEMBL7637599 0.79 CA2 (0.36) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1101033 0.77 CA1 (0.33) CA2ALDH1A1TSHRKDM4E
SCHEMBL1027391 0.76 CA2 (0.36) CA2GABRA1GABRB2ALDH1A1TSHR
Boric Acid SCHEMBL10407152 0.75 CA2 (0.42) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1101361 0.75 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1101463 0.73 SMN1; SMN2 (0.40) CA2ALDH1A1
SCHEMBL1101083 0.71 CYP1A2 (0.35) ALDH1A1TSHRTDP1MAPT
SCHEMBL7941421 0.71 CA2 (0.54) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740590-B1 PANEL AND PANEL INSTALLATION STRUCTURE MITSUBISHI ENG PLASTICS CORP (JP) 2021-03-31 EP disclosed
EP-2740590-A1 PANEL AND PANEL INSTALLATION STRUCTURE Mitsubishi Engineering-Plastics Corporation (JP) 2014-06-11 EP disclosed
EP-0791634-B1 Fire retardant polyester resin composition and process for producing the same MITSUBISHI ENG PLASTICS CORP (JP) 2002-11-06 EP disclosed
US-5770644-A FIREPROOFING MOLDING MATERIAL BLENDS COMPRISING A POLYESTERS, A POLYPHENYLENE ETHER RESIN AND/OR POLYPHENYLENE SULFIDE RESIN AND A COMPATIBILIZING AGENT; NONHYDROLYSIS, FLEXIBILITY, DIMENSION STABILITY, CORROSION RESISTANCE MITSUBISHI ENGINEERING PLASTICS CORPORATION (JP) 1998-06-23 US disclosed
EP-0791634-A2 Fire retardant polyester resin composition and process for producing the same Mitsubishi Engineering Plastics Corporation (JP) 1997-08-27 EP disclosed
EP-0765914-A1 POLYPHENYLENE ETHER RESIN COMPOSITION MITSUBISHI CHEMICAL CORPORATION (JP) 1997-04-02 EP disclosed