SCHEMBL4198529

SCHEMBL4198529

CCC(C)(C)C(=O)Cc1c(C(=O)C(C)(C)C)oc2ccc(OC)cc12.CCCCN(CCCC)C(=O)Cc1c(C(=O)C(C)(C)C)sc2ccc(OC)cc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.33
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
HPGD P15428 4/20 0.33
LMNA P02545 3/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 3/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4195268 0.86 KDM4E (0.43) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4187170 0.85 CYP1A2 (0.38) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4193769 0.84 MEN1 (0.42) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4472512 0.84 TSPO (0.36) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4191934 0.83 KDM4E (0.43) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4188725 0.82 CYP1A2 (0.43) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4193680 0.82 KDM4E (0.46) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4191948 0.81 MEN1 (0.45) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4479968 0.80 TSPO (0.39) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4191386 0.78 LMNA (0.44) KDM4ENPC1RAB9AALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664011-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-02-25 EP disclosed
EP-1664011-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005020917-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-10 WO disclosed