SCHEMBL4644892

SCHEMBL4644892

CC(C)(C)C(O)C(=O)O[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
RECQL P46063 1/20 0.32
TRPA1 O75762 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4647639 0.81 ATM (0.38) ATML3MBTL1ADRB2ADRB1ADRB3
SCHEMBL6054093 0.78 ELANE (0.43) ATML3MBTL1CES2CES1ALDH1A1
SCHEMBL7055132 0.74 ALDH1A1 (0.38) ATML3MBTL1CES2CES1ALDH1A1
SCHEMBL4644582 0.74 ELANE (0.35) ATML3MBTL1ALDH1A1HPGDTDP1
SCHEMBL2711943 0.73 ALDH1A1 (0.43) CES2CES1ALDH1A1HPGDTSHR
SCHEMBL6555679 0.71 CYP3A4 (0.41) L3MBTL1CES2CES1ALDH1A1TSHR
SCHEMBL21065529 0.71 TSHR (0.42) L3MBTL1CES2CES1ALDH1A1CYP2C19
SCHEMBL7494490 0.70 ALDH1A1 (0.56) L3MBTL1ALDH1A1KMT2AHPGDTDP1
SCHEMBL9802325 0.70 ATM (0.37) ATML3MBTL1ALDH1A1KMT2ACYP2C19
SCHEMBL7494498 0.70 ALDH1A1 (0.56) L3MBTL1ALDH1A1KMT2AHPGDTDP1

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
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed