SCHEMBL8979859

SCHEMBL8979859

CCCCCCCCCCCCC(C)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.49
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
CETP P11597 1/20 0.41
EPHX1 P07099 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10580172 1.00 UGT2B7 (0.49) UGT2B7HDAC1HDAC8MEN1CYP1A2
SCHEMBL10583580 1.00 UGT2B7 (0.49) UGT2B7HDAC1HDAC8MEN1CYP1A2
SCHEMBL10583623 1.00 UGT2B7 (0.49) UGT2B7HDAC1HDAC8MEN1CYP1A2
SCHEMBL10583499 1.00 UGT2B7 (0.49) UGT2B7HDAC1HDAC8MEN1CYP1A2
SCHEMBL10581782 1.00 UGT2B7 (0.49) UGT2B7HDAC1HDAC8MEN1CYP1A2
SCHEMBL10580009 1.00 UGT2B7 (0.49) UGT2B7HDAC1HDAC8MEN1CYP1A2
SCHEMBL6888083 0.88 UGT2B7 (0.46) UGT2B7MEN1CYP1A2CYP2D6TSHR
SCHEMBL11051116 0.86 UGT2B7 (0.55) UGT2B7MEN1CYP1A2CYP2D6TSHR
SCHEMBL10584440 0.85 UGT2B7 (0.46) UGT2B7HDAC1HDAC8CYP2D6CETP
SCHEMBL10581058 0.85 UGT2B7 (0.46) UGT2B7HDAC1HDAC8CYP2D6CETP

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-5516954-A CATALYST OF GROUP IVB METAL OXIDE MODIFIED WITH OXYANION OF GROUP VIB METAL MOBIL OIL CORPORATION (US) 1996-05-14 US disclosed
WO-1995007874-A1 PROCESS FOR PREPARING ALKYL AROMATIC COMPOUNDS MOBIL OIL CORPORATION (US) 1995-03-23 WO disclosed