SCHEMBL9814010

SCHEMBL9814010

COC(=O)[C@@H]1CCCN1C(=O)CCSc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.49
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KLK5 Q9Y337 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
DPP4 P27487 1/20 0.40
PKM P14618 1/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
PDK2 Q15119 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL9707052 0.89 ACE (0.46) ACEALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL9707114 0.83 ALDH1A1 (0.50) ACEALDH1A1MAPK1L3MBTL1KLK5
SCHEMBL9707090 0.81 LMNA (0.44) ACEALDH1A1MAPK1L3MBTL1KLK5
SCHEMBL9707085 0.76 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2RAB9ALMNANPC1
SCHEMBL10756387 0.74 LTA4H (0.56) ACEALDH1A1MAPK1L3MBTL1KLK5
SCHEMBL10508472 0.74 ACE (0.62) ACEALDH1A1MAPK1L3MBTL1KLK5
SCHEMBL10508467 0.74 ACE (0.62) ACEALDH1A1MAPK1L3MBTL1KLK5
SCHEMBL9510615 0.73 SMN1; SMN2 (0.53) ALDH1A1L3MBTL1SMN1; SMN2RAB9ALMNA
SCHEMBL11154974 0.73 ACE (0.64) ACEALDH1A1MAPK1L3MBTL1KLK5
Hydrochloric Acid SCHEMBL9513854 0.73 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1SMN1; SMN2RAB9ALMNA

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-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