SCHEMBL6562301

SCHEMBL6562301

CCCCCc1cc(C)ccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
TYR P14679 3/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
ALOX5 P09917 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
LIPG Q9Y5X9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
SPHK2 Q9NRA0 2/20 0.38

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
SCHEMBL9756528 0.98 TAAR1 (0.57) TAAR1TYRMAPTTDP1HTT
SCHEMBL10639347 0.98 TAAR1 (0.57) TAAR1TYRMAPTTDP1HTT
SCHEMBL30912801 0.98 TAAR1 (0.57) TAAR1TYRMAPTTDP1HTT
SCHEMBL9699152 0.98 TAAR1 (0.57) TAAR1TYRMAPTTDP1HTT
SCHEMBL3892982 0.98 TAAR1 (0.57) TAAR1TYRMAPTTDP1HTT
SCHEMBL11235040 0.98 TAAR1 (0.57) TAAR1TYRMAPTTDP1HTT
SCHEMBL3671257 0.98 TAAR1 (0.57) TAAR1TYRMAPTTDP1HTT
SCHEMBL11241677 0.98 TAAR1 (0.57) TAAR1TYRMAPTTDP1HTT
SCHEMBL6549903 0.98 TAAR1 (0.57) TAAR1TYRMAPTTDP1HTT
Cyanide SCHEMBL27976996 0.94 TAAR1 (0.53) TAAR1TYRMAPTTDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104893567-A Fireproof coating for forest tree REN BILONG 2015-09-09 CN claimed
CN-114008017-A Covalent organic frameworks and methods of making and using same 新加坡国立大学 2022-02-01 CN disclosed
CN-104893567-A Fireproof coating for forest tree REN BILONG 2015-09-09 CN disclosed
EP-0991613-B1 OLEFIN SKELETAL ISOMERIZATION PROCESS CATALYTIC DISTILLATION TECH (US) 2004-03-24 EP disclosed
EP-0991613-A4 OLEFIN SKELETAL ISOMERIZATION PROCESS CATALYTIC DISTILLATION TECH (US) 2000-09-20 EP disclosed
EP-0991613-A1 OLEFIN SKELETAL ISOMERIZATION PROCESS Catalytic Distillation Technologies (US) 2000-04-12 EP disclosed
WO-1998056738-A1 OLEFIN SKELETAL ISOMERIZATION PROCESS CATALYTIC DISTILLATION TECHNOLOGIES (US) 1998-12-17 WO disclosed
US-5811623-A CONVERTING LINEAR OLEFINS TO BRANCHED OLEFINS AND SEPARATING OLEFINS FROM PARAFFINS CATALYTIC DISTILLATION TECHNOLOGIES (US) 1998-09-22 US disclosed