SCHEMBL17997522

SCHEMBL17997522

CC(C)(C)[C@H]1CC[C@H](Oc2ccc3cc(C(=O)N4CCC(OC(=O)O)CC4)ccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.58
▸ BCL9 O00512 4/20 0.46
▸ CTNNB1 P35222 4/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TRPV6 Q9H1D0 1/20 0.43
▸ L3MBTL3 Q96JM7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL12471111 0.88 HRH3 (0.56) HRH3BCL9CTNNB1NPC1RAB9A
SCHEMBL12471106 0.88 HRH3 (0.56) HRH3BCL9CTNNB1NPC1RAB9A
SCHEMBL29700588 0.87 HRH3 (0.67) HRH3KMT2AMEN1L3MBTL3L3MBTL1
SCHEMBL12471398 0.84 HRH3 (0.57) HRH3NPC1RAB9AKMT2AMEN1
SCHEMBL12471396 0.84 HRH3 (0.57) HRH3NPC1RAB9AKMT2AMEN1
SCHEMBL17739185 0.81 KDM4E (0.51) HRH3
SCHEMBL18532923 0.81 KDM4E (0.51) HRH3
SCHEMBL17997536 0.80 ENPP2 (0.50) KMT2AMEN1
SCHEMBL16667317 0.80 ENPP2 (0.50) KMT2AMEN1
SCHEMBL11942498 0.79 HRH3 (0.50) HRH3KMT2AMEN1TRPV6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 — — EP claimed
EP-2672823-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2016-08-24 — — EP claimed
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