SCHEMBL7811441

SCHEMBL7811441

O=C(O)CC(Oc1ccccc1)C1(O)CCN(C(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.46
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
CYP2D6 P10635 2/20 0.43
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NEK2 P51955 1/20 0.41

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
SCHEMBL7810120 0.92 POLB (0.48) KMT2AHPGDCYP2D6USP2CYP3A4
SCHEMBL7804415 0.86 TSHR (0.51) KMT2AHPGDUSP2NPC1TSHR
SCHEMBL7813958 0.79 MME (0.47) MMEKMT2AHPGDCYP2D6USP2
SCHEMBL7813554 0.78 AVPR1A (0.56) KMT2AALDH1A1POLBMEN1
SCHEMBL7810081 0.78 KMT2A (0.49) MMEKMT2AHPGDNPC1CA12
SCHEMBL7811501 0.76 KMT2A (0.47) KMT2AHPGDNPC1POLBSLC6A4
SCHEMBL7817525 0.75 TSHR (0.49) KMT2AHPGDUSP2NPC1TSHR
SCHEMBL7814002 0.74 KMT2A (0.40) MMEKMT2AHPGDNPC1TSHR
SCHEMBL15285999 0.71 HPGD (0.64) KMT2AHPGDCA12CA1CA2
SCHEMBL7804532 0.69 KCNA5 (0.52) KMT2AHPGDNPC1SMN1; SMN2ALDH1A1

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
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP 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