SCHEMBL27339261

SCHEMBL27339261

CC(C)(C)c1cc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRB P28702 8/20 0.51
▸ RXRA P19793 7/20 0.51
▸ RXRG P48443 3/20 0.51
▸ CNR1 P21554 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SERPINE1 P05121 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ HPGD P15428 1/20 0.41

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
SCHEMBL31584210 0.93 RXRA (0.43) RXRBRXRARXRGCNR1ABCG2
SCHEMBL31027984 0.92 CNR1 (0.52) RXRBRXRARXRGCNR1ABCG2
SCHEMBL27757672 0.88 RXRB (0.62) RXRBRXRARXRGALDH1A1EGFR
SCHEMBL31419468 0.88 CNR1 (0.55) RXRBRXRARXRGCNR1ABCG2
SCHEMBL24732168 0.87 CNR1 (0.43) RXRBRXRARXRGCNR1ABCG2
SCHEMBL30927973 0.87 RXRB (0.44) RXRBRXRARXRGCNR1ABCG2
SCHEMBL20209149 0.86 ABCG2 (0.54) CNR1ABCG2HSD17B10ALDH1A1ALOX15
SCHEMBL605442 0.86 ABCG2 (0.54) CNR1ABCG2HSD17B10ALDH1A1ALOX15
SCHEMBL22080286 0.86 ABCG2 (0.54) CNR1ABCG2HSD17B10ALDH1A1ALOX15
SCHEMBL11646120 0.86 RXRB (0.59) RXRBRXRARXRGCNR1ALDH1A1

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-2023200195-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME (주)피엔에이치테크 2023-10-19 — — WO disclosed
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