SCHEMBL8205250

SCHEMBL8205250

Nc1cc2c(cc1O)-c1ccccc1C(=O)C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.61
BCL2 P10415 2/20 0.61
PTPRC P08575 7/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 4/20 0.55
BLM P54132 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
S100A4 P26447 4/20 0.55
APAF1 O14727 4/20 0.55
LMNA P02545 4/20 0.55
NPSR1 Q6W5P4 4/20 0.55
TDP2 O95551 3/20 0.55
HTT P42858 3/20 0.55
GALK1 P51570 3/20 0.55
ALDH1A1 P00352 3/20 0.55
PLA2G1B P04054 2/20 0.55
HPGD P15428 2/20 0.55

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
SCHEMBL3698733 0.96 MCL1 (0.67) MCL1BCL2PTPRCMEN1KMT2A
SCHEMBL395884 0.92 MCL1 (0.72) MCL1BCL2PTPRCMEN1KMT2A
SCHEMBL19075869 0.88 ALOX15 (0.46) MCL1BCL2PTPRCMEN1KMT2A
SCHEMBL6230652 0.81 NPC1 (0.61) MCL1BCL2PTPRCMEN1KMT2A
SCHEMBL7979992 0.81 BCL2 (0.91) MCL1BCL2PTPRCMEN1KMT2A
SCHEMBL27615612 0.79 MAOA (0.73) MCL1BCL2MEN1KMT2ASMN1; SMN2
SCHEMBL6029304 0.77 NPC1 (0.67) MCL1BCL2PTPRCMEN1KMT2A
SCHEMBL2769983 0.77 BCL2 (1.00) MCL1BCL2PTPRCMEN1KMT2A
SCHEMBL19100122 0.76 ALDH1A1 (0.46) MCL1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL10947714 0.76 MEN1 (0.53) MCL1BCL2MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0320227-B1 Method of preventing polymer-scale formation SHINETSU CHEMICAL CO (JP) 1994-09-07 EP disclosed
US-4933399-A COATING INSIDE OF VESSEL WITH A CATIONIC DYE, DRYING, COATING WITH AN ANIONIC OR AMPHOTERIC POLYMER OR A HYDROXYL-CONTAINING COMPOUND IN A SOLVENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-06-12 US disclosed
EP-0320227-A2 Method of preventing polymer-scale formation Shin-Etsu Chemical Co., Ltd. (JP) 1989-06-14 EP disclosed