SCHEMBL18945321

SCHEMBL18945321

COc1ccc(C2(c3ccc(OC(=O)C(C)C)cc3)CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ ELANE P08246 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.45
▸ BACE1 P56817 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ FAAH O00519 1/20 0.40

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
SCHEMBL14532269 0.89 ELANE (0.54) SLC6A4SLC6A3ELANEADORA3KDM4E
SCHEMBL14781031 0.89 ESR1 (0.57) SLC6A4SLC6A3ELANEADORA3MAPT
SCHEMBL13765230 0.87 ELANE (0.46) ELANEADORA3KDM4EMAPTHPGD
SCHEMBL279321 0.87 MAPT (0.54) SLC6A4SLC6A3ADORA3BACE1KDM4E
SCHEMBL26009190 0.87 MAPT (0.54) SLC6A4SLC6A3ADORA3BACE1KDM4E
SCHEMBL19268519 0.87 MAPT (0.54) SLC6A4SLC6A3ADORA3BACE1KDM4E
SCHEMBL15179068 0.87 MAPT (0.54) SLC6A4SLC6A3ADORA3BACE1KDM4E
SCHEMBL13583422 0.85 SLC6A4 (0.49) SLC6A4SLC6A3ADORA3BACE1KDM4E
SCHEMBL13144066 0.85 MAPT (0.55) SLC6A4SLC6A3ADORA3BACE1KDM4E
SCHEMBL21785623 0.85 ADORA3 (0.54) SLC6A4SLC6A3ELANEADORA3MAPT

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
US-10336902-B2 High flow, high heat polycarbonate compositions SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-07-02 — — US disclosed
US-20170158853-A1 HIGH FLOW, HIGH HEAT POLYCARBONATE COMPOSITIONS SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2017-06-08 — — US disclosed
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