SCHEMBL9707090

SCHEMBL9707090

COC(=O)[C@@H]1CCCN1C(=O)CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.42
PKM P14618 2/20 0.42
ACE P12821 1/20 0.41
FKBP1A P62942 2/20 0.40
VCAM1 P19320 1/20 0.39
KLK5 Q9Y337 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CPT1B Q92523 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
PEPD P12955 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36

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
SCHEMBL9707098 0.88 ACE (0.43) LMNAACEL3MBTL1
SCHEMBL9707114 0.85 ALDH1A1 (0.50) LMNARAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL9814010 0.81 ACE (0.49) LMNARAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL9707036 0.76 ALDH1A1 (0.57) LMNARAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL9328168 0.74 PTGS1 (0.61) ALDH1A1VCAM1TDP1PTGS1CPT1B
SCHEMBL9510252 0.73 ALDH1A1 (0.46) LMNARAB9ASMN1; SMN2ALDH1A1TDP1
Hydrochloric Acid SCHEMBL9510629 0.72 ALDH1A1 (0.45) LMNARAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL23135846 0.71 LMNA (0.52) LMNARAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL26437787 0.71 LMNA (0.52) LMNARAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL9707078 0.71 ACE (0.49) RAB9ASMN1; SMN2ALDH1A1ACE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190685-B1 HETEROCYCLIC AMIDES G.D. Searle & Co. (US) 1992-07-01 EP claimed
US-4959364-A Method of treating inflammation, allergy, asthma and proliferative skin disease using heterocyclic amides G. D. SEARLE & CO. (US) 1990-09-25 US claimed
EP-0190685-A2 Heterocyclic amides G.D. Searle & Co. (US) 1986-08-13 EP claimed
EP-0190685-B1 HETEROCYCLIC AMIDES G.D. Searle & Co. (US) 1992-07-01 EP disclosed
US-4981853-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS G. D. SEARLE & CO. (US) 1991-01-01 US disclosed
US-4959364-A Method of treating inflammation, allergy, asthma and proliferative skin disease using heterocyclic amides G. D. SEARLE & CO. (US) 1990-09-25 US disclosed
EP-0190685-A2 Heterocyclic amides G.D. Searle & Co. (US) 1986-08-13 EP disclosed