SCHEMBL2595803

SCHEMBL2595803

FC(F)(F)c1cccc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.68
▸ ALOX15 P16050 1/20 0.68
▸ S1PR5 Q9H228 1/20 0.68
▸ PLK1 P53350 1/20 0.47
▸ HSD17B1 P14061 1/20 0.43
▸ ADORA1 P30542 3/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ SCN2A Q99250 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MAOB P27338 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL11523529 0.84 HSD17B1 (0.58) S1PR1ALOX15S1PR5HSD17B1ADORA1
SCHEMBL11520987 0.84 HSD17B1 (0.62) S1PR1ALOX15S1PR5HSD17B1ADORA1
SCHEMBL29389224 0.82 S1PR1 (1.00) S1PR1ALOX15S1PR5ALDH1A1SMN1; SMN2
SCHEMBL436150 0.82 S1PR1 (1.00) S1PR1ALOX15S1PR5ALDH1A1SMN1; SMN2
SCHEMBL11522626 0.81 HSD17B1 (0.54) S1PR1ALOX15S1PR5HSD17B1ADORA1
SCHEMBL28667956 0.77 ADORA2A (0.54) ADORA1ADORA2ASCN2AALDH1A1SMN1; SMN2
SCHEMBL17335798 0.76 S1PR1 (0.55) S1PR1ALOX15S1PR5PLK1ADORA1
SCHEMBL307920 0.74 KIF11 (0.62) ADORA1ADORA2ASCN2AALDH1A1MAOB
SCHEMBL29420699 0.74 KIF11 (0.62) ADORA1ADORA2ASCN2AALDH1A1MAOB
SCHEMBL11520757 0.74 HSD17B1 (0.58) S1PR1ALOX15S1PR5HSD17B1ALDH1A1

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-2822595-A1 USE OF SPHINGOSINE-1 -PHOSPHATE RECEPTORS MODULATORS FOR IMPROVING VACCINE IMMUNIZATION Istituto Superiore di Sanità (IT) 2015-01-14 — — EP disclosed
WO-2013132526-A1 USE OF SPHINGOSINE-1 -PHOSPHATE RECEPTORS MODULATORS FOR IMPROVING VACCINE IMMUNIZATION ISTITUTO SUPERIORE DI SANITA' (IT) 2013-09-12 — — WO disclosed
EP-2566954-A1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS Yeda Research and Development Co. Ltd. (IL) 2013-03-13 — — EP disclosed
WO-2011140170-A1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2011-11-10 — — WO disclosed
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