SCHEMBL5073345

SCHEMBL5073345

COc1ccc(C(=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 4/20 0.62
▸ LTA4H P09960 1/20 0.58
▸ TUBB4A P04350 1/20 0.55
▸ TUBB P07437 1/20 0.55
▸ TUBA3C P0DPH7 1/20 0.55
▸ TUBA1B P68363 1/20 0.55
▸ TUBA4A P68366 1/20 0.55
▸ TUBB4B P68371 1/20 0.55
▸ TUBB3 Q13509 1/20 0.55
▸ TUBB2A Q13885 1/20 0.55
▸ TUBB8 Q3ZCM7 1/20 0.55
▸ TUBA3E Q6PEY2 1/20 0.55
▸ TUBA1A Q71U36 1/20 0.55
▸ TUBA1C Q9BQE3 1/20 0.55
▸ TUBB6 Q9BUF5 1/20 0.55
▸ TUBB2B Q9BVA1 1/20 0.55
▸ TUBB1 Q9H4B7 1/20 0.55
▸ CES2 O00748 1/20 0.54
▸ CES1 P23141 1/20 0.54
▸ MEN1 O00255 2/20 0.54

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
SCHEMBL18656383 0.92 SRD5A2 (0.72) SRD5A2LTA4HCES2CES1MEN1
SCHEMBL8965244 0.92 SRD5A2 (0.72) SRD5A2LTA4HCES2CES1MEN1
SCHEMBL12799179 0.88 TUBB4A (0.60) SRD5A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6426895 0.88 CES2 (0.69) SRD5A2LTA4HCES2CES1MEN1
SCHEMBL17285814 0.87 SRD5A2 (0.62) SRD5A2LTA4HCES2CES1MEN1
SCHEMBL16378706 0.85 MTNR1B (0.62) SRD5A2CES2CES1MEN1KMT2A
SCHEMBL19317526 0.84 SRD5A2 (0.78) SRD5A2PARP10ALDH1A1POLB
SCHEMBL3545138 0.84 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24538828 0.84 PARP10 (0.70) SRD5A2LTA4HTUBB4ATUBBTUBA3C
SCHEMBL10494485 0.84 PARP10 (0.70) SRD5A2LTA4HTUBB4ATUBBTUBA3C

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-1359176-B1 Polycarbonates, polyestercarbonates and polyesters having specific branched endgroups BAYER MATERIALSCIENCE AG (DE) 2008-08-27 — — EP disclosed
US-6825312-B2 POLYCARBONATESTER COPOLYMER MOLDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2004-11-30 — — US disclosed
US-20040030090-A1 Polycarbonates, polyester carbonates and polyesters with special branched terminal groups BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 — — US disclosed
EP-1359176-A2 Polycarbonates, polyestercarbonates and polyesters having specific branched endgroups Bayer Aktiengesellschaft (DE) 2003-11-05 — — EP disclosed
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