SCHEMBL7871971

SCHEMBL7871971

COC(CCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.57
▸ STS P08842 1/20 0.52
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ FKBP1A P62942 2/20 0.48
▸ GAA P10253 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ YAP1 P46937 2/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ EED O75530 1/20 0.44
▸ RBBP4 Q09028 1/20 0.44
▸ SUZ12 Q15022 1/20 0.44
▸ EZH2 Q15910 1/20 0.44
▸ AEBP2 Q6ZN18 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL7871972 1.00 GPR119 (0.57) GPR119STSJAK2JAK1KDM4E
SCHEMBL7863097 0.86 GPR119 (0.59) GPR119STSJAK2JAK1KDM4E
SCHEMBL7972888 0.86 GPR119 (0.68) GPR119STSJAK2JAK1KDM4E
SCHEMBL7870879 0.80 GPR119 (0.57) GPR119STSJAK2JAK1KDM4E
SCHEMBL1912705 0.79 KDM4E (0.62) GPR119STSJAK2JAK1KDM4E
SCHEMBL4118016 0.79 GPR119 (0.61) GPR119STSJAK2JAK1KDM4E
SCHEMBL7872005 0.79 GPR119 (0.61) GPR119STSJAK2JAK1KDM4E
SCHEMBL29051514 0.79 GPR119 (0.53) GPR119STSJAK2JAK1KDM4E
SCHEMBL30468221 0.79 GPR119 (0.53) GPR119STSJAK2JAK1KDM4E
SCHEMBL31463076 0.78 GPR119 (0.55) GPR119STSJAK2JAK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303593-B1 FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS MERCK & CO., INC. 2001-10-16 — — US disclosed
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