SCHEMBL7813630

SCHEMBL7813630

CC(C)(Oc1ccc(C2(O)CCN(C(=O)c3ccncc3)CC2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 6/20 0.47
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 4/20 0.47
PKLR P30613 1/20 0.46
CYP46A1 Q9Y6A2 1/20 0.46
TSHR P16473 3/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP2C19 P33261 2/20 0.44
GAA P10253 1/20 0.44
S1PR2 O95136 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7814073 0.88 SMN1; SMN2 (0.49) ALDH1A1LMNASMN1; SMN2CA12CA1
SCHEMBL7809970 0.88 SMN1; SMN2 (0.60) ALDH1A1CYP3A4CYP2D6CYP1A2SMN1; SMN2
SCHEMBL7817546 0.88 PPARD (0.49) CYP3A4SMN1; SMN2TSHRCA12CA1
SCHEMBL7817767 0.87 LMNA (0.55) ALDH1A1LMNACYP3A4CYP2D6CYP1A2
SCHEMBL7814142 0.83 SMN1; SMN2 (0.47) ALDH1A1LMNACYP3A4CYP2D6CYP1A2
SCHEMBL7811927 0.82 PARP10 (0.53) ALDH1A1LMNASMN1; SMN2TSHRCA12
SCHEMBL7814122 0.82 SMN1; SMN2 (0.46) ALDH1A1LMNACYP3A4CYP2D6CYP1A2
SCHEMBL7810083 0.81 ALDH1A1 (0.69) ALDH1A1LMNACYP3A4CYP2D6CYP1A2
SCHEMBL7814130 0.79 LMNA (0.54) ALDH1A1LMNACYP2C9TSHRCA12
SCHEMBL7813550 0.79 CYP1A2 (0.51) ALDH1A1CYP3A4CYP2D6CYP1A2SMN1; SMN2

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