SCHEMBL9856969

SCHEMBL9856969

O=C(O)COc1ccccc1C(=O)Nc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ATM Q13315 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
SGMS2 Q8NHU3 1/20 0.55
GAA P10253 1/20 0.55
NR1H4 Q96RI1 1/20 0.54
FFAR1 O14842 1/20 0.53
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
GBA1 P04062 1/20 0.51
S1PR1 P21453 5/20 0.50
S1PR3 Q99500 3/20 0.50
S1PR5 Q9H228 3/20 0.50

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
SCHEMBL8931060 0.85 SGMS2 (0.70) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7105901 0.81 SGMS2 (0.70) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1747055 0.80 FFAR1 (0.74) FFAR1S1PR1S1PR3S1PR5
SCHEMBL9857414 0.80 NR1H4 (0.59) NR1H4FFAR1
SCHEMBL9713562 0.78 FFAR1 (0.64) FFAR1S1PR1S1PR3S1PR5
SCHEMBL10721776 0.78 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL22192243 0.76 NR1H4 (0.71) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9713634 0.75 NR1H4 (0.57) ALDH1A1MAPTMEN1KMT2ANR1H4
SCHEMBL28237055 0.75 PPARA (0.57) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9713433 0.75 NR1H4 (0.59) ALDH1A1MEN1KMT2ARAB9ANR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed