SCHEMBL8440802

SCHEMBL8440802

COc1cc(C)ccc1NC(=O)c1ccc(O)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 4/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52

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
SCHEMBL1096903 0.89 POLB (0.64) KCNMA1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1097593 0.84 MEN1 (0.53) KCNMA1SMN1; SMN2NPC1MAPTMEN1
SCHEMBL30382302 0.83 TUBB4A (0.72) KCNMA1SMN1; SMN2NPC1MAPTMEN1
SCHEMBL931381 0.83 TUBB4A (0.72) KCNMA1SMN1; SMN2NPC1MAPTMEN1
SCHEMBL1096214 0.83 KMT2A (0.56) SMN1; SMN2NPC1MAPTMEN1KMT2A
SCHEMBL12368200 0.82 TUBB4A (0.70) KCNMA1SMN1; SMN2NPC1MAPTMEN1
SCHEMBL12368201 0.82 HSD17B10 (0.65) KCNMA1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14268384 0.81 ALDH1A1 (0.55) KCNMA1SMN1; SMN2NPC1MAPTMEN1
SCHEMBL2269427 0.78 GAA (0.62) SMN1; SMN2NPC1MAPTMEN1KMT2A
SCHEMBL28385915 0.78 KCNMA1 (0.67) KCNMA1SMN1; SMN2NPC1MAPTMEN1

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-0756943-B1 Heat sensitive recording material NEW OJI PAPER CO LTD (JP) 1999-12-22 EP disclosed
US-5753588-A COMPRISING INDOLYLDIAZAPHTHALIDE BASIC DYE, DIPHENYL SULFONE OR BENZANILIDE DERIVATIVE COLOR ACCEPTOR NEW OJI PAPER COMPANY LIMITED (JP) 1998-05-19 US disclosed
EP-0756943-A1 Heat sensitive recording material NEW OJI PAPER CO., LTD. (JP) 1997-02-05 EP disclosed