SCHEMBL8425464

SCHEMBL8425464

O=C(O)C1CCOC(CSc2ccc(Oc3ccc(Cl)cc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 1/20 0.44
▸ HPGD P15428 4/20 0.42
▸ DRD4 P21917 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ FKBP1A P62942 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL8423721 0.89 ALDH1A1 (0.39) S1PR5HPGDALDH1A1CTSKFFAR4
SCHEMBL8424025 0.89 ALDH1A1 (0.42) S1PR5HPGDALDH1A1LMNACTSK
SCHEMBL8424066 0.88 HPGD (0.43) S1PR5HPGDDRD4ALDH1A1PTGDR2
SCHEMBL8423588 0.86 ALDH1A1 (0.43) HPGDALDH1A1LMNAMEN1TSHR
SCHEMBL8424170 0.75 ALDH1A1 (0.49) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL8425468 0.72 S1PR5 (0.40) S1PR5ALDH1A1LMNAFFAR1MEN1
SCHEMBL8425539 0.71 FKBP1A (0.42) S1PR5HPGDALDH1A1RAB9AFKBP1A
SCHEMBL6993318 0.70 S1PR5 (0.41) S1PR5HPGDALDH1A1PTGDR2TDP1
SCHEMBL8425302 0.69 MMP2 (0.50) ALDH1A1LMNAMEN1KMT2A
SCHEMBL8426091 0.68 MMP2 (0.47) L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 — — US disclosed
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