SCHEMBL9788508

SCHEMBL9788508

CCOC(=O)c1cc2cccc(OCc3ccccc3)c2cc1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HSP90AA1 P07900 1/20 0.51
MAOB P27338 2/20 0.49
POLB P06746 1/20 0.48
PPIA P62937 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
MAOA P21397 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CCR6 P51684 1/20 0.45

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
SCHEMBL5351687 0.88 HPGD (0.52) MEN1KMT2AMAOBPOLBMRGPRX4
SCHEMBL10527100 0.86 MAOB (0.52) MEN1KMT2AMAOBMAOACA12
SCHEMBL10390521 0.85 GRIN2D (0.57) MEN1KMT2AMAOBPOLBMRGPRX4
SCHEMBL19821457 0.83 MEN1 (0.54) MEN1KMT2AHSP90AA1MAOBPPIA
SCHEMBL1681414 0.82 KMT2A (0.53) MEN1KMT2AHSP90AA1POLBMRGPRX4
SCHEMBL10391523 0.81 KMT2A (0.49) MEN1KMT2AHSP90AA1MAOBPOLB
SCHEMBL10421184 0.80 MCL1 (0.57) MAOBMRGPRX4
SCHEMBL8118387 0.80 MAOA (0.60) MEN1KMT2AHSP90AA1MAOBMAOA
SCHEMBL11168197 0.79 MRGPRX4 (0.54) MAOBMRGPRX4
SCHEMBL8123886 0.79 TDP1 (0.61) MEN1KMT2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015663-A Treatment of conditions requiring enhanced oxygen availability of mammalian tissues RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-05-14 US disclosed
US-4948582-A PRETREATMENT WITH AN OXYNAPHTHOIC ACID DERIVATIVE RORER PHARMACEUTICAL CORPORATION (US) 1990-08-14 US disclosed
EP-0347932-A2 Treatment of conditions requiring enhanced oxygen availability to mammalian tissues RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-27 EP disclosed
US-4861795-A USING NAPHTHOIC ACID DERIVATIVE RORER PHARMACEUTICAL CORPORATION (US) 1989-08-29 US disclosed