SCHEMBL29988293

SCHEMBL29988293

COC(=O)[C@H]1CC[C@H](c2nnc(-c3cc4cc(Cl)ccc4o3)o2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 3/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX15B O15296 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
POLB P06746 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
GPR35 Q9HC97 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL29988217 0.87 ALDH1A1 (0.41) RAB9ANPC1USP2HPGDTSHR
SCHEMBL29082336 0.82 ALDH1A1 (0.41) RAB9ANPC1USP2HPGDTSHR
SCHEMBL29082339 0.82 ALDH1A1 (0.41) RAB9ANPC1USP2HPGDTSHR
SCHEMBL29988906 0.82 MTNR1A (0.41) RAB9ANPC1USP2HPGDTSHR
SCHEMBL29988751 0.80 ALDH1A1 (0.60) RAB9ATP53ALDH1A1ALOX15BPOLB
SCHEMBL30578684 0.80 ALOX15B (0.44) RAB9ANPC1USP2HPGDTSHR
SCHEMBL29082684 0.80 TNKS (0.46) RAB9ANPC1USP2HPGDTSHR
SCHEMBL30685474 0.80 ALDH1A1 (0.59) RAB9ANPC1USP2HPGDTSHR
SCHEMBL30578686 0.78 THRB (0.45) RAB9ANPC1ALDH1A1ALOX15BKDM4E
SCHEMBL30578697 0.78 ALDH1A1 (0.41) RAB9ANPC1USP2HPGDTSHR

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
WO-2022212902-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. (US) 2022-10-06 WO disclosed