SCHEMBL9814007

SCHEMBL9814007

CC(C)(C)c1cc(SCCC(=O)N2CCOCC2)cc(C(C)(C)C)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.60
RAB9A P51151 5/20 0.59
NPC1 O15118 3/20 0.59
USP2 O75604 1/20 0.59
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 5/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
FKBP1A P62942 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL9707036 0.88 ALDH1A1 (0.57) SMN1; SMN2RAB9ANPC1USP2MEN1
SCHEMBL9510252 0.87 ALDH1A1 (0.46) SMN1; SMN2RAB9ANPC1USP2MEN1
Hydrochloric Acid SCHEMBL9510629 0.86 ALDH1A1 (0.45) SMN1; SMN2RAB9ANPC1USP2MEN1
SCHEMBL9814000 0.81 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1USP2HSD17B10
SCHEMBL9493123 0.78 MAOB (0.52) SMN1; SMN2RAB9ANPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL9510294 0.78 MAOB (0.51) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL9707160 0.78 ALDH1A1 (0.53) SMN1; SMN2RAB9ANPC1USP2HSD17B10
SCHEMBL9814008 0.76 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1USP2HSD17B10
SCHEMBL9497169 0.75 HPN (0.50) SMN1; SMN2ALDH1A1POLBLMNAMAPT
SCHEMBL8309788 0.75 VCAM1 (0.55) SMN1; SMN2ALDH1A1POLBLMNAMAPT

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
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
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