SCHEMBL9011135

SCHEMBL9011135

O=C(O)CCc1ccccc1C1(O)CCN(C(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.48
AKR1C1 Q04828 1/20 0.47
RAB9A P51151 2/20 0.46
DRD4 P21917 3/20 0.46
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL9011126 0.94 NPC1 (0.47) TSHRNPC1LMNAHPGDAKR1C1
SCHEMBL9011001 0.89 TSHR (0.51) TSHRNPC1LMNAHPGDAKR1C1
SCHEMBL9011057 0.83 NPC1 (0.52) TSHRNPC1LMNAHPGDAKR1C1
SCHEMBL7814151 0.82 NPC1 (0.47) TSHRNPC1LMNAHPGDAKR1C1
SCHEMBL9011018 0.82 NPC1 (0.54) TSHRNPC1LMNAHPGDAKR1C1
SCHEMBL7804416 0.81 NPC1 (0.46) TSHRNPC1LMNAHPGDAKR1C1
SCHEMBL7814113 0.80 NPC1 (0.48) TSHRNPC1LMNAHPGDAKR1C1
SCHEMBL9011211 0.79 DRD4 (0.53) TSHRNPC1LMNAHPGDAKR1C1
SCHEMBL9011148 0.79 LMNA (0.62) TSHRNPC1LMNAHPGDAKR1C1
SCHEMBL27302984 0.79 CA12 (0.61) TSHRNPC1LMNAHPGDAKR1C1

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
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed