SCHEMBL9510239

SCHEMBL9510239

CC(C)(C)c1cc(SCCCC(=O)N2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 8/20 0.50
MAOA P21397 5/20 0.49
ACHE P22303 3/20 0.49
CPT1B Q92523 1/20 0.47
BCHE P06276 2/20 0.47
POLB P06746 1/20 0.46
HTR7 P34969 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
FAAH O00519 1/20 0.45

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
SCHEMBL9493123 0.94 MAOB (0.52) TDP1MAOBMAOAACHEBCHE
Hydrochloric Acid SCHEMBL9510294 0.93 MAOB (0.51) TDP1MAOBMAOAACHEBCHE
SCHEMBL9157478 0.84 TDP1 (0.44) TDP1MAOBMAOAACHECPT1B
SCHEMBL9510623 0.78 HTR7 (0.54) POLBHTR7MEN1KMT2ASMN1; SMN2
SCHEMBL9314272 0.78 MAOB (0.47) MAOBMAOAACHEBCHEPOLB
Hydrochloric Acid SCHEMBL9511571 0.78 HTR7 (0.53) POLBHTR7MEN1KMT2ASMN1; SMN2
SCHEMBL6786556 0.77 MEN1 (0.67) MAOBMAOAACHEBCHEMEN1
SCHEMBL9510247 0.77 SMN1; SMN2 (0.50) POLBHTR7MEN1KMT2ASMN1; SMN2
SCHEMBL9314268 0.77 MAOB (0.46) MAOBMAOAACHEBCHEPOLB
SCHEMBL9488480 0.77 MAOB (0.46) MAOBMAOAACHEBCHEPOLB

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-0372410-B1 Use of heterocyclic amides to inhibit tumor metastasis SEARLE & CO (US) 1993-10-20 EP disclosed
EP-0190685-B1 HETEROCYCLIC AMIDES G.D. Searle & Co. (US) 1992-07-01 EP disclosed
US-5010080-A !anticarcinogenic agents G. D. SEARLE & CO. (US) 1991-04-23 US 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-0372410-A2 Use of heterocyclic amides to inhibit tumor metastasis G.D. Searle & Co. (US) 1990-06-13 EP disclosed
EP-0190685-A2 Heterocyclic amides G.D. Searle & Co. (US) 1986-08-13 EP disclosed