SCHEMBL3933429

SCHEMBL3933429

O=C(O)Cc1cccc(C2CCCN(C(=O)c3ccc(F)cc3)C2)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HIF1A Q16665 1/20 0.52
MYC P01106 4/20 0.50
TSHR P16473 1/20 0.49
PROKR1 Q8TCW9 2/20 0.48
GRM5 P41594 1/20 0.47
CLPP Q16740 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
SCN9A Q15858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3942799 0.88 NPC1 (0.55) ATMNPC1RAB9AALDH1A1LMNA
SCHEMBL3932839 0.84 RAB9A (0.53) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL3455533 0.84 RAB9A (0.87) ATMNPC1RAB9AALDH1A1LMNA
SCHEMBL3941517 0.80 MAPT (0.55) ALDH1A1LMNAHPGDTSHRKDM4E
SCHEMBL3938045 0.80 MAPT (0.55) ALDH1A1LMNAHPGDTSHRKDM4E
SCHEMBL3929084 0.80 MAPT (0.55) ALDH1A1LMNAHPGDTSHRKDM4E
SCHEMBL8288429 0.80 ATM (0.74) ATMNPC1RAB9AALDH1A1LMNA
SCHEMBL3938376 0.75 PTGDR2 (0.54) TSHRKMT2A
SCHEMBL3942333 0.74 CYP19A1 (0.48) RAB9AMEN1KMT2A
Fluorobenzene SCHEMBL27747102 0.74 TSHR (0.41) ATMNPC1RAB9AALDH1A1LMNA

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 6 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 claimed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO claimed
CN-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN disclosed
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
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed