SCHEMBL30864396

SCHEMBL30864396

CC(C)(C)c1cc(-c2ccccc2)cc(-c2cccc(Br)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 6/20 0.50
RXRA P19793 5/20 0.50
KIF11 P52732 1/20 0.47
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
GABRA3 P34903 3/20 0.42
GABRA1 P14867 2/20 0.42
DHODH Q02127 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RXRG P48443 2/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BIRC5 O15392 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL31212441 0.93 RXRB (0.53) RXRBRXRAKIF11GABRG2GABRB3
SCHEMBL23909381 0.93 RXRB (0.53) RXRBRXRAKIF11GABRG2GABRB3
SCHEMBL29360024 0.91 RXRB (0.54) RXRBRXRAKIF11GABRG2GABRB3
SCHEMBL23928046 0.91 RXRB (0.54) RXRBRXRAKIF11GABRG2GABRB3
SCHEMBL19274316 0.87 RXRB (0.46) RXRBRXRAKIF11DHODHRXRG
SCHEMBL30864395 0.85 ALDH1A1 (0.58) RXRBRXRAKIF11DHODHSMN1; SMN2
SCHEMBL31212443 0.85 RXRB (0.53) RXRBRXRAKIF11GABRG2GABRB3
SCHEMBL23909368 0.85 RXRB (0.53) RXRBRXRAKIF11GABRG2GABRB3
SCHEMBL28706233 0.85 KIF11 (0.58) RXRBRXRAKIF11GABRG2GABRB3
Bromide SCHEMBL28692201 0.85 RXRB (0.61) RXRBRXRAKIF11DHODHRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250169354-A1 COMPOSITION, LIGHT-EMITTING DEVICE, ELECTRONIC EQUIPMENT INCLUDING THE LIGHT-EMITTING DEVICE, AND ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2025-05-22 US disclosed
CN-117903182-A Light emitting device and polycyclic compound for use therein 三星显示有限公司 2024-04-19 CN disclosed