SCHEMBL25922211

SCHEMBL25922211

CCCc1ccc(N(I)c2ccc(CCC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.45
▸ LIPG Q9Y5X9 2/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ CA2 P00918 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MGLL Q99685 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ NISCH Q9Y2I1 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 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
SCHEMBL25941655 0.86 CA2 (0.48) LPLLIPGESR1CA2ALDH1A1
SCHEMBL171763 0.83 ALDH1A1 (0.61) LPLLIPGESR1ESR2ALDH1A1
SCHEMBL12922766 0.82 LPL (0.56) LPLLIPGESR1ESR2CA2
SCHEMBL25922210 0.80 ALDH1A1 (0.44) LPLLIPGCA2ALDH1A1CYP3A4
SCHEMBL11887139 0.80 LPL (0.54) LPLLIPGESR1ESR2CA2
SCHEMBL142480 0.79 LPL (0.62) LPLLIPGESR1CA2ALDH1A1
SCHEMBL20408084 0.77 LPL (0.47) LPLLIPGESR1ESR2CA2
SCHEMBL13069326 0.76 ALDH1A1 (0.54) LPLLIPGESR1ESR2ALDH1A1
SCHEMBL26509644 0.76 LPL (0.45) LPLLIPGESR1ESR2CA2
SCHEMBL919062 0.76 LPL (0.50) LPLLIPGESR1ESR2CA2

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
WO-2023142486-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 — — WO disclosed
WO-2023142485-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 — — WO disclosed
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