SCHEMBL5489310

SCHEMBL5489310

NC(=O)CCc1cccc(C(=O)C2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PARP1 P09874 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ EPHX1 P07099 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM2B Q8NHM5 3/20 0.40
▸ F10 P00742 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL6989374 0.78 PARP1 (0.50) L3MBTL1PARP1CYP2C19F10MEN1
SCHEMBL31719066 0.72 HTR2A (0.44) HTR2ACYP2C19HTR2CMEN1KMT2A
SCHEMBL23582699 0.72 CYP4F2 (0.69) PARP1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL26144962 0.72 SRD5A2 (0.59) ALDH1A1KDM2BKDM4ESRD5A2PDK2
SCHEMBL3673373 0.71 AKR1B1 (0.47) HTR2ACYP2C19HTR2CKMT2A
SCHEMBL16409435 0.70 KDM2B (0.69) L3MBTL1PARP1ALDH1A1KDM2BMEN1
SCHEMBL31375622 0.70 KDM2B (0.69) L3MBTL1PARP1ALDH1A1KDM2BMEN1
SCHEMBL23579339 0.70 HSD11B1 (0.58) PARP1ALDH1A1CYP2C19KDM2BSMN1; SMN2
SCHEMBL29973506 0.70 HSD11B1 (0.58) PARP1ALDH1A1CYP2C19KDM2BSMN1; SMN2
SCHEMBL14067799 0.70 NPSR1 (0.49) L3MBTL1ALDH1A1KDM2BSMN1; SMN2MEN1

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
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 — — EP disclosed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 — — WO disclosed
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