SCHEMBL3933544

SCHEMBL3933544

COC(=O)Cc1cccc(C2CCCN(C(=O)Nc3ccc(F)cc3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 4/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
STAT1 P42224 1/20 0.50
CCR3 P51677 3/20 0.49
POLB P06746 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.47
FAAH O00519 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3932839 0.89 RAB9A (0.53) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL3942799 0.86 NPC1 (0.55) RAB9ANPC1ALDH1A1LMNAKMT2A
SCHEMBL3933582 0.80 GAA (0.49) MAPTALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL31173466 0.78 USP30 (0.50)
SCHEMBL3943769 0.76 DRD2 (0.45) RAB9AALDH1A1KMT2A
SCHEMBL3933930 0.75 CYP19A1 (0.46) RAB9ASMN1; SMN2POLB
SCHEMBL11675457 0.75 NAAA (0.51) NPC1MAPTALDH1A1POLB
SCHEMBL3936324 0.75 EPHX2 (0.45) MAPTSMN1; SMN2POLBLMNATP53
Fluorobenzene SCHEMBL27747012 0.74 DRD2 (0.39) ALDH1A1LMNA
SCHEMBL3933429 0.74 ATM (0.62) RAB9ANPC1ALDH1A1LMNAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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