SCHEMBL19200643

SCHEMBL19200643

SCc1ccc(-c2ccccc2)cc1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 3/20 0.51
DCLRE1A Q6PJP8 1/20 0.51
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
MMP3 P08254 1/20 0.38
BCL2L1 Q07817 1/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BACE1 P56817 1/20 0.35
IDO1 P14902 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAOA P21397 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL456780 0.80 BCL2 (0.42) DCLRE1BDCLRE1AESR1ESR2MMP3
SCHEMBL19199865 0.76 HSD17B10 (0.52) DCLRE1BDCLRE1AALOX5ALDH1A1MEN1
SCHEMBL3174141 0.76 DCLRE1B (0.51) DCLRE1BDCLRE1AALOX5KDM4ELMNA
SCHEMBL10391765 0.73 ALDH1A1 (0.47) ESR1ESR2MMP3BCL2L1ALOX5
SCHEMBL4314462 0.71
SCHEMBL30323675 0.70 MEN1 (0.47) ESR1ESR2MMP3BCL2L1ALOX5
SCHEMBL4411745 0.70 MEN1 (0.47) ESR1ESR2MMP3BCL2L1ALOX5
SCHEMBL326717 0.68 ALOX5 (0.64) ESR1ESR2MMP3BCL2L1ALOX5
SCHEMBL455738 0.68 ESR2 (0.52) ESR1ESR2MMP3BCL2L1ALOX5
SCHEMBL30741201 0.68 HSD17B10 (0.52) ALOX5ALDH1A1MEN1KMT2ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017132484-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 WO disclosed