SCHEMBL28979208

SCHEMBL28979208

Nc1cc(C(=O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
EGFR P00533 1/20 0.48
MAP4K4 O95819 1/20 0.47
FOLH1 Q04609 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PARP10 Q53GL7 1/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTPN1 P18031 3/20 0.45
GSK3B P49841 2/20 0.45
CREBBP Q92793 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 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
SCHEMBL8356708 0.87 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDEGFR
SCHEMBL27396917 0.86 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2HPGDEGFR
SCHEMBL10604837 0.84 EGFR (0.65) NPC1RAB9ASMN1; SMN2HPGDEGFR
SCHEMBL4295650 0.84 FOLH1 (0.62) NPC1RAB9ASMN1; SMN2HPGDEGFR
SCHEMBL11875558 0.84 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2HPGDEGFR
SCHEMBL6895376 0.84 PARP1 (0.57) NPC1RAB9ASMN1; SMN2HPGDEGFR
SCHEMBL4161097 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDEGFR
SCHEMBL5468617 0.83 MRGPRX4 (0.57) NPC1RAB9ASMN1; SMN2HPGDEGFR
SCHEMBL1437989 0.83 FFAR4 (0.58) NPC1RAB9ASMN1; SMN2HPGDEGFR
SCHEMBL2009073 0.83 CREBBP (0.66) NPC1RAB9ASMN1; SMN2HPGDMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115873909-B Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-08-11 CN claimed
CN-115873909-A Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-03-31 CN claimed
CN-115873909-B Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-08-11 CN disclosed
CN-115873909-A Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-03-31 CN disclosed