SCHEMBL9727439

SCHEMBL9727439

CCOC(C)OC(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)N2CCCCC12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.36
▸ SIGMAR1 Q99720 3/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ CNR1 P21554 3/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9536483 0.83 KDM4E (0.36) SIGMAR1FFAR1CNR1CNR2MAPT
SCHEMBL12724445 0.80 KDM4E (0.33) ALDH1A1
SCHEMBL4441502 0.80 POLB (0.34) HPGDSMN1; SMN2TSHRALDH1A1
SCHEMBL9884800 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10267137 0.66 PDCD1 (0.35) MAPK1
SCHEMBL14639799 0.63 KMT2A (0.35) SMN1; SMN2TSHRALDH1A1
SCHEMBL14411023 0.62 GABRA1 (0.35) TSHRMAPK1ALDH1A1
SCHEMBL9883900 0.62 KDM4E (0.36) MAPK1RECQLALDH1A1
SCHEMBL10274441 0.61 USP2 (0.32) HPGDTSHRALDH1A1
SCHEMBL10900135 0.60 SLC6A3 (0.39) CNR1CNR2

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-5142065-A Intermediates for herbicides, fungicides, miticides and insecticides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 — — US disclosed
US-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 — — US disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 — — US disclosed
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