SCHEMBL9011044

SCHEMBL9011044

O=C(O)Cc1cccc(C2(O)CCN(C(=O)c3ccnc4ccccc34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKLR P30613 2/20 0.47
AVPR1A P37288 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CCR3 P51677 1/20 0.43
CYP46A1 Q9Y6A2 2/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C8 P10632 1/20 0.41
CHRM2 P08172 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP1A2 P05177 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
SCHEMBL27303867 0.86 PKLR (0.56) PKLRAVPR1ACCR3CYP46A1ALDH1A1
SCHEMBL7804505 0.85 PKLR (0.46) PKLRCCR3CYP46A1ALDH1A1LMNA
SCHEMBL9011227 0.81 ITGB3 (0.47) MEN1KMT2ACCR3ALDH1A1LMNA
SCHEMBL7804545 0.79 PKLR (0.47) PKLRCYP46A1ALDH1A1LMNAPKM
SCHEMBL9011032 0.79 TPSAB1 (0.50) CCR3CHRM2
SCHEMBL9010998 0.77 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL9011197 0.76 ALDH1A1 (0.65) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL9011281 0.75 NPC1 (0.56) MEN1KMT2AALDH1A1LMNA
SCHEMBL9011241 0.74 NOS2 (0.53) ALDH1A1LMNA
SCHEMBL3408619 0.70 AKR1B1 (0.46) MEN1KMT2AALDH1A1LMNACYP2C19

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
CN-1035178-C Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1997-06-18 CN disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed