SCHEMBL11445047

SCHEMBL11445047

COc1cc2c(c3oc(C(=O)O)cc(=O)c13)CCC(C)(C)O2

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.63
▸ PDE4D Q08499 1/20 0.55
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ RCE1 Q9Y256 1/20 0.47
▸ PDE5A O76074 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL11543143 0.89 POLB (0.58) POLBPDE4DMEN1KMT2ARCE1
SCHEMBL11444906 0.88 POLB (0.54) POLBMEN1KMT2ARCE1
SCHEMBL27949359 0.67 HSP90AA1 (0.57) POLBPDE4DMEN1KMT2A
SCHEMBL11502584 0.64 KMT2A (0.43) MEN1KMT2ARAB9A
SCHEMBL17211707 0.64 MEN1 (0.71) POLBMEN1KMT2A
SCHEMBL7220811 0.64 CA2 (0.54) POLBMEN1KMT2ARAB9A
SCHEMBL7228890 0.64 KDM4E (0.60) MEN1KMT2ARAB9A
SCHEMBL30495897 0.64 PDE4D (0.48) POLBPDE4DPDE5A
SCHEMBL4220888 0.63 PDE5A (1.00) POLBPDE4DMEN1KMT2APDE5A
SCHEMBL29363725 0.63 PDE5A (1.00) POLBPDE4DMEN1KMT2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4238606-A ANTIALLERGANS FISONS LIMITED (GB) 1980-12-09 — — US claimed
US-4238606-A ANTIALLERGANS FISONS LIMITED (GB) 1980-12-09 — — US disclosed
US-4159273-A ANTIALLERGENS, ANTIHISTAMINES FISONS LIMITED (GB) 1979-06-26 — — US disclosed
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