SCHEMBL10881663

SCHEMBL10881663

C=CCOCc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(COCC=C)cc3)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
ATM Q13315 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
BCHE P06276 1/20 0.33
FFAR1 O14842 3/20 0.33
MMP2 P08253 1/20 0.32
MMP12 P39900 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7857861 0.80 FFAR1 (0.41) L3MBTL1FFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL10881132 0.77 FFAR1 (0.34) ATMTDP1L3MBTL1FFAR1MMP2
SCHEMBL4778780 0.76 TSHR (0.42) ALOX15L3MBTL1TSHRBCHESMN1; SMN2
SCHEMBL10942753 0.76 FFAR1 (0.36) ATMTDP1L3MBTL1TSHRFFAR1
SCHEMBL10879741 0.76 ACACB (0.46) ATMTDP1L3MBTL1FFAR1FFAR4
SCHEMBL10941479 0.75 NAAA (0.37) ATMTDP1L3MBTL1TSHRFFAR1
SCHEMBL10880914 0.75 L3MBTL1 (0.40) ATMTDP1L3MBTL1TSHRBCHE
SCHEMBL149658 0.74 TSHR (0.61) ALOX15TDP1L3MBTL1TSHR
SCHEMBL20953940 0.74 TSHR (0.61) ALOX15TDP1L3MBTL1TSHR
SCHEMBL5035399 0.73 TSHR (0.58) ALOX15TDP1L3MBTL1TSHR

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
EP-0107008-B1 9,10-BIS(PHENYLETHYNYL)-ANTHRACENES AMERICAN CYANAMID COMPANY (US) 1986-03-26 EP claimed
EP-0107008-A1 9,10-bis(phenylethynyl)-anthracenes AMERICAN CYANAMID COMPANY (US) 1984-05-02 EP claimed
EP-0107008-B1 9,10-BIS(PHENYLETHYNYL)-ANTHRACENES AMERICAN CYANAMID COMPANY (US) 1986-03-26 EP disclosed
EP-0107008-A1 9,10-bis(phenylethynyl)-anthracenes AMERICAN CYANAMID COMPANY (US) 1984-05-02 EP disclosed