SCHEMBL8508929

SCHEMBL8508929

OCC(Cl)c1ccc(C(Cl)CO)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.36
PGK2 P07205 2/20 0.36
TSHR P16473 6/20 0.32
TDP1 Q9NUW8 3/20 0.32
MAPK1 P28482 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HIF1A Q16665 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.30
TRPA1 O75762 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MARS2 Q96GW9 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9075363 0.89 TSHR (0.48) TSHRTDP1MAPK1HIF1ATP53
SCHEMBL4599672 0.87 TRPA1 (0.41) LMNATRPA1SMN1; SMN2ALDH1A1
SCHEMBL19877202 0.87 TRPA1 (0.41) LMNATRPA1SMN1; SMN2ALDH1A1
SCHEMBL6187725 0.87 TRPA1 (0.41) LMNATRPA1SMN1; SMN2ALDH1A1
SCHEMBL27878321 0.87 HTR2A (0.39) CYP2C19
SCHEMBL1146364 0.86 TSHR (0.50) TSHRL3MBTL1LMNATRPA1
SCHEMBL8779726 0.86 TSHR (0.50) TSHRL3MBTL1LMNATRPA1
SCHEMBL8779745 0.86 TSHR (0.50) TSHRL3MBTL1LMNATRPA1
SCHEMBL27895200 0.83 ABAT (0.44)
SCHEMBL10977836 0.82 CYP19A1 (0.41) MAPK1LMNACYP3A4CYP2C19

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
US-5997715-A Method of electrochemically producing epoxides PPG INDUSTRIES OHIO, INC. (US) 1999-12-07 US claimed
US-5997716-A Method of electrochemically producing epoxides PPG INDUSTRIES OHIO, INC. (US) 1999-12-07 US claimed
US-5980724-A Method of electrochemically producing epoxides PPG INDUSTRIES OHIO, INC. (US) 1999-11-09 US claimed
US-5972195-A Method of electrolytically producing epoxides PPG INDUSTRIES OHIO, INC. (US) 1999-10-26 US claimed
US-5997715-A Method of electrochemically producing epoxides PPG INDUSTRIES OHIO, INC. (US) 1999-12-07 US disclosed
US-5997716-A Method of electrochemically producing epoxides PPG INDUSTRIES OHIO, INC. (US) 1999-12-07 US disclosed
US-5980724-A Method of electrochemically producing epoxides PPG INDUSTRIES OHIO, INC. (US) 1999-11-09 US disclosed
US-5972195-A Method of electrolytically producing epoxides PPG INDUSTRIES OHIO, INC. (US) 1999-10-26 US disclosed