SCHEMBL28348384

SCHEMBL28348384

CCCCCCCCc1ccc(-c2ccc3c(Oc4ccccc4)c(Br)sc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.40
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 1/20 0.39
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
HSD11B1 P28845 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL28351596 1.00 RARB (0.40) RARBRARARARGMEN1ALDH1A1
SCHEMBL28351677 1.00 RARB (0.40) RARBRARARARGMEN1ALDH1A1
SCHEMBL28351971 1.00 RARB (0.40) RARBRARARARGMEN1ALDH1A1
SCHEMBL28348263 1.00 RARB (0.40) RARBRARARARGMEN1ALDH1A1
SCHEMBL28348574 0.99 ESR1 (0.39) RARBRARARARGMEN1ALDH1A1
SCHEMBL28348158 0.86 ESR1 (0.38) MAPTESR1
SCHEMBL28351777 0.85 CNR2 (0.41) MEN1ALDH1A1KMT2AESR1ICAM1
SCHEMBL28352141 0.85 CNR2 (0.41) MEN1ALDH1A1KMT2AESR1ICAM1
SCHEMBL28351705 0.85 CNR2 (0.41) MEN1ALDH1A1KMT2AESR1ICAM1
SCHEMBL28351614 0.85 CNR2 (0.41) MEN1ALDH1A1KMT2AESR1ICAM1

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
CN-110734452-A semiconductor materials, and preparation method and application thereof 北京大学深圳研究生院 2020-01-31 CN disclosed