SCHEMBL3933560

SCHEMBL3933560

COC(=O)Cc1cccc(C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TRPA1 O75762 2/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3930700 0.90 TRPA1 (0.46) THRBTRPA1ATMGLALMNA
SCHEMBL3932377 0.81 PKM (0.49) HCRTR1PKMKMT2ALMNATSHR
SCHEMBL3942154 0.80 TRPA1 (0.44) THRBTRPA1HCRTR2PKMKMT2A
SCHEMBL3933582 0.80 GAA (0.49) HCRTR1PKMKMT2ALMNATSHR
SCHEMBL3941870 0.80 PKM (0.55) TRPA1PKMKMT2ALMNATSHR
SCHEMBL14366366 0.79 PKM (0.49) PKMKMT2ALMNATSHRNPSR1
SCHEMBL14366808 0.73 POLB (0.46) PKMKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL3928274 0.73 TRPA1 (0.57) TRPA1LMNATSHRALDH1A1NPSR1
SCHEMBL3941453 0.72 BCL9 (0.47) KMT2ALMNAALDH1A1NPSR1
SCHEMBL3940272 0.72 ALDH1A1 (0.50) PKMKMT2ALMNATSHRALDH1A1

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
EP-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed