SCHEMBL9707098

SCHEMBL9707098

CC(C)(C)c1cc(SCCC(=O)N2CCC[C@H]2C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.43
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ACE2 Q9BYF1 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9707090 0.88 LMNA (0.44) ACELMNAL3MBTL1
SCHEMBL9707078 0.83 ACE (0.49) ACECYP2C19CHRM2CHRM4CHRM1
SCHEMBL9707052 0.79 ACE (0.46) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL9707036 0.78 ALDH1A1 (0.57) LMNACYP2C19
SCHEMBL11547220 0.75 NPC1 (0.59) ACECYP2C19CHRM2CHRM4CHRM1
SCHEMBL11544959 0.75 DPP4 (0.49) ACELMNACYP2C19CHRM2CHRM4
SCHEMBL9510252 0.75 ALDH1A1 (0.46) LMNACYP2C19
Hydrochloric Acid SCHEMBL9510629 0.74 ALDH1A1 (0.45) LMNACYP2C19
SCHEMBL8309788 0.73 VCAM1 (0.55) LMNA
SCHEMBL9814007 0.73 SMN1; SMN2 (0.60) LMNAHSD17B10

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 5 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-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