SCHEMBL9548110

SCHEMBL9548110

CCn1cc(C(=O)OCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)C(C(=O)O)c4ccc(O)cc4)[C@H]3SC2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.49
KDM4E B2RXH2 12/20 0.48
ALDH1A1 P00352 10/20 0.48
HPGD P15428 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.47
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
RAD52 P43351 1/20 0.46
GLA P06280 1/20 0.45
PTGS1 P23219 1/20 0.42

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
SCHEMBL9744180 0.87 DRD3 (0.55) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL10379270 0.85 KDM4E (0.49) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL8497966 0.83 DRD3 (0.56) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL9745731 0.83 ALDH1A1 (0.57) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL9744018 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL9743994 0.81 L3MBTL1 (0.54) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL9743438 0.80 L3MBTL1 (0.53) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL9021420 0.80 KDM4E (0.52) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL9745641 0.79 L3MBTL1 (0.52) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL9745653 0.79 L3MBTL1 (0.52) DRD3KDM4EALDH1A1HPGDMEN1

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-5273973-A Carbapenicillins NORWICH EATON PHARMACEUTICALS, INC. (US) 1993-12-28 US disclosed
EP-0366641-A2 Novel antimicrobial quinolonyl lactam esters Norwich Eaton Pharmaceuticals, Inc. (US) 1990-05-02 EP disclosed