SCHEMBL10835294

SCHEMBL10835294

CCC(Br)COC(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.49
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MTNR1A P48039 4/20 0.40
▸ MTNR1B P49286 4/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ ELANE P08246 2/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ USP2 O75604 1/20 0.36

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
SCHEMBL10835019 0.85 ATM (0.38) CYP1A2ATML3MBTL1MAPTMTNR1A
SCHEMBL728513 0.83 CYP1A2 (0.48) CYP1A2ATML3MBTL1MAPTMTNR1A
SCHEMBL10836569 0.83 MTNR1A (0.45) CYP1A2ATML3MBTL1MAPTMTNR1A
SCHEMBL10836356 0.81 CYP1A2 (0.46) CYP1A2ATML3MBTL1MAPTMTNR1A
SCHEMBL10836509 0.81 MTNR1A (0.43) CYP1A2ATML3MBTL1MAPTMTNR1A
SCHEMBL1790169 0.80 ALDH1A1 (0.55) CYP1A2ATML3MBTL1MTNR1AMTNR1B
SCHEMBL10836488 0.79 ALDH1A1 (0.50) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL11177661 0.79 ALDH1A1 (0.63) CYP1A2ATML3MBTL1MAPTTDP1
SCHEMBL28023159 0.78 ALDH1A1 (0.62) CYP1A2ATML3MBTL1MAPTTDP1
SCHEMBL37520 0.77 MAPT (0.56) CYP1A2MAPTTDP1ALDH1A1MEN1

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
US-4568759-A Preparation of epoxides THE DOW CHEMICAL COMPANY (US) 1986-02-04 — — US disclosed
Send feedback