SCHEMBL29519680

SCHEMBL29519680

O=Cc1cccc2c1OCC=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.43
CA1 P00915 2/20 0.39
CA9 Q16790 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ERN1 O75460 3/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
CYP2A6 P11509 1/20 0.31
STS P08842 1/20 0.30
KCNJ1 P48048 1/20 0.30
TLR2 O60603 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
SCHEMBL2557254 1.00 CYP2B6 (0.43) CYP2B6CA1CA9CYP1A1CYP1A2
Hydrochloric Acid SCHEMBL30405223 0.98 CYP2B6 (0.43) CYP2B6CA1CA9CYP1A1CYP1A2
SCHEMBL1896984 0.82 CA1 (0.44) CYP2B6CA1CA9MEN1LMNA
SCHEMBL15676323 0.77 ERN1 (0.39) CYP2B6CA1CA9CYP1A1CYP1A2
SCHEMBL277664 0.77 CYP2B6 (0.46) CYP2B6CA1CA9CYP1A1CYP1A2
SCHEMBL12043463 0.73 CYP2B6 (0.42) CYP2B6CA1CA9CYP1A1CYP1A2
SCHEMBL11192919 0.73 CYP2B6 (0.42) CYP2B6CA1CA9CYP1A1CYP1A2
SCHEMBL31301918 0.73 CYP2B6 (0.42) CYP2B6CA1CA9CYP1A1CYP1A2
SCHEMBL2009438 0.73 CYP2B6 (0.42) CYP2B6CA1CA9CYP1A1CYP1A2
SCHEMBL3076682 0.73 CYP2B6 (0.42) CYP2B6CA1CA9CYP1A1CYP1A2

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-11462305-B2 Biomarkers for detecting colorectal cancer or adenoma and methods thereof Precogify Pharmaceutical China Co., Ltd. (CN) 2022-10-04 US disclosed
US-20220108777-A1 BIOMARKERS FOR DETECTING COLORECTAL CANCER OR ADENOMA AND METHODS THEREOF Precogify Pharmaceutical China Co., Ltd. (CN) 2022-04-07 US disclosed