SCHEMBL9842913

SCHEMBL9842913

CC(C)c1ccc(COCCOc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
FFAR1 O14842 2/20 0.45
GSTP1 P09211 1/20 0.44
LSS P48449 1/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
ACACB O00763 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
IDO1 P14902 1/20 0.42
BCL2 P10415 1/20 0.42
MDM2 Q00987 1/20 0.42
MCL1 Q07820 1/20 0.42
PTGER4 P35408 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42

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
SCHEMBL5555641 0.91 RXRA (0.50) RXRARXRBRAB9ACHRNB2CHRNB4
SCHEMBL27270853 0.88 GSTP1 (0.54) FFAR1GSTP1LSSPPARGPPARD
SCHEMBL10178613 0.88 NPC1 (0.46) FFAR1GSTP1LSSPPARGPPARD
SCHEMBL6663026 0.84 ADAMTS5 (0.48) FFAR1GSTP1LSSPPARGPPARA
SCHEMBL13778589 0.84 L3MBTL1 (0.49) RXRARXRBRAB9ACHRNB2CHRNB4
SCHEMBL9793416 0.84 GSTP1 (0.48) FFAR1GSTP1LSSPPARGPPARD
SCHEMBL10713484 0.83 TSHR (0.54) FFAR1GSTP1PPARGNPC1RAB9A
SCHEMBL10758358 0.79 MEN1 (0.49) PPARGRAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL3764814 0.79 KCNA3 (0.54) RXRARXRBNPC1RAB9A
SCHEMBL9478520 0.78 KCNA3 (0.56) FFAR1CHRNA7

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
EP-0414243-A2 Heat-sensitive recorder HONSHU PAPER CO., LTD. (JP) 1991-02-27 EP disclosed