SCHEMBL13840715

SCHEMBL13840715

CC(C)(Cc1cccc(C(=O)NCc2ccc(Cl)cc2)c1)NC[C@H](O)c1cc(O)cc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.49
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ADRB1 P08588 3/20 0.43

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
SCHEMBL3924003 1.00 ADRB2 (0.49) ADRB2RAB9ASMN1; SMN2NPC1HTT
SCHEMBL3917066 0.92 NPC1 (0.47) ADRB2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL13840696 0.92 NPC1 (0.47) ADRB2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3915709 0.91 ADRB2 (0.57) ADRB2ALDH1A1MEN1KMT2ALMNA
SCHEMBL13840709 0.91 ADRB2 (0.57) ADRB2ALDH1A1MEN1KMT2ALMNA
SCHEMBL13840714 0.87 ADRB2 (0.65) ADRB2RAB9ANPC1ALDH1A1MEN1
SCHEMBL3914436 0.87 ADRB2 (0.65) ADRB2RAB9ANPC1ALDH1A1MEN1
SCHEMBL4393362 0.87 ADRB2 (0.67) ADRB2CYP1A2ADRB1
SCHEMBL4393355 0.87 ADRB2 (0.67) ADRB2CYP1A2ADRB1
SCHEMBL6253310 0.83 ADRB2 (0.46) ADRB2RAB9ASMN1; SMN2NPC1HTT

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-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 — — US disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 — — US disclosed
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