SCHEMBL29049889

SCHEMBL29049889

CC1=Cc2cc(C)ccc2C1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.35
SLC6A4 P31645 10/20 0.35
SLC6A3 Q01959 10/20 0.35
ACHE P22303 1/20 0.35
HTR2C P28335 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP2D6 P10635 1/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL28660742 0.79 ACHE (0.32) SLC6A2SLC6A4SLC6A3ACHEHTR2C
SCHEMBL28666657 0.79 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3ACHEHTR2C
SCHEMBL2973021 0.79 ALDH1A1 (0.35) HTR2CCYP1A2
Hydrochloric Acid SCHEMBL28662630 0.78 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3ACHEHTR2C
SCHEMBL8164426 0.76 BRD4 (0.33)
SCHEMBL28947798 0.76 HTR2C (0.30) ACHEHTR2CCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL28994366 0.75 ACHE (0.32) SLC6A2SLC6A4SLC6A3ACHEHTR2C
SCHEMBL29049893 0.75 MAOA (0.35) CYP3A4ALOX15
Hydrochloric Acid SCHEMBL27520196 0.74 ACHE (0.31) ACHECYP1A2CYP2A6CHRNB2CHRNA4
SCHEMBL8038491 0.74 ACHE (0.31) ACHECYP1A2CYP2A6CHRNB2CHRNA4

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
CN-116410237-A Synthesis method of non-bridged symmetrical metallocene catalyst, product and application thereof 中国石油天然气股份有限公司 2023-07-11 CN disclosed