SCHEMBL21507252

SCHEMBL21507252

COc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.61
▸ CES2 O00748 1/20 0.58
▸ CES1 P23141 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ LTA4H P09960 1/20 0.57
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ RXFP1 Q9HBX9 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ PARP10 Q53GL7 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ACACB O00763 1/20 0.56
▸ ACACA Q13085 1/20 0.56
▸ ACHE P22303 1/20 0.55

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
SCHEMBL24489353 0.97 CES2 (0.62) SRD5A2CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL6426895 0.91 CES2 (0.69) SRD5A2CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL8965244 0.91 SRD5A2 (0.72) SRD5A2CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL18656383 0.91 SRD5A2 (0.72) SRD5A2CES2CES1ALDH1A1SMN1; SMN2
Anisole SCHEMBL27657177 0.91 CES2 (0.58) CES2CES1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL18545953 0.91 CES2 (0.69) CES2CES1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2998614 0.91 CES2 (0.69) CES2CES1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL12757139 0.91 SRD5A2 (0.71) SRD5A2ALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL9452100 0.91 SRD5A2 (0.71) SRD5A2ALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL16420019 0.90 ADORA3 (0.52) SRD5A2CES2CES1ALDH1A1SMN1; SMN2

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
US-11708457-B2 Polyarylether ketone copolymer SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2023-07-25 — — US disclosed
US-20220315717-A1 FIBER REINFORCED THERMOPLASTIC MATRIX COMPOSITE MATERIAL SOLVAY SPECIALITY POLYMERS USA, LLC 2022-10-06 — — US disclosed
WO-2020254097-A1 A METHOD OF MAKING A PEEK-PEOEK COPOLYMER AND COPOLYMER OBTAINED FROM THE METHOD SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2020-12-24 — — WO disclosed
US-20190322804-A1 POLYARYLETHER KETONE COPOLYMER SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2019-10-24 — — US disclosed
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