SCHEMBL25255504

SCHEMBL25255504

CC(C)(CC(=O)O)CC1=NC(c2ccccc2)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TBXA2R P21731 3/20 0.37
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL25255503 1.00 TAAR1 (0.43) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL30229493 0.87 TAAR1 (0.39) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL24899339 0.87 TAAR1 (0.39) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL24899337 0.87 TAAR1 (0.39) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL25239386 0.76 TAAR1 (0.43) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL25239388 0.76 TAAR1 (0.43) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL11340816 0.76 TAAR1 (0.45) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL8863119 0.75 TAAR1 (0.47) TAAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL4416002 0.74 TAAR1 (0.56) TAAR1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL4587339 0.74 TAAR1 (0.56) TAAR1MAPTALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373835-A1 MACROCYLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-29 EP disclosed
CN-118076623-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-05-24 CN disclosed
EP-4370530-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-22 EP disclosed
CN-117940445-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-04-26 CN disclosed
WO-2024059472-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-21 WO disclosed
WO-2023225661-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 WO disclosed
WO-2023192873-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-05 WO disclosed
WO-2023102507-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-08 WO disclosed
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 WO disclosed
WO-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 WO disclosed