SCHEMBL6558920

SCHEMBL6558920

CC(C)(C)c1cc(C(C)(C)c2ccccc2)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 2/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
F2R P25116 1/20 0.36
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30393631 1.00 NPC1 (0.45) NPC1RAB9ALMNAPOLBCYP3A4
SCHEMBL5510301 0.95 NPC1 (0.41) NPC1RAB9ALMNAPOLBCYP3A4
SCHEMBL29903 0.93 NPC1 (0.46) NPC1RAB9ALMNAPOLBCYP3A4
SCHEMBL29354035 0.93 NPC1 (0.46) NPC1RAB9ALMNAPOLBCYP3A4
SCHEMBL1499910 0.89 NPC1 (0.45) NPC1RAB9ALMNAPOLBCYP3A4
SCHEMBL7574013 0.89 CYP3A4 (0.39) NPC1RAB9ALMNAPOLBCYP3A4
SCHEMBL29708 0.89 NPC1 (0.49) NPC1RAB9ALMNAPOLBCYP3A4
SCHEMBL29350736 0.89 NPC1 (0.49) NPC1RAB9ALMNAPOLBCYP3A4
SCHEMBL28969460 0.87 NPC1 (0.40) NPC1RAB9ALMNAPOLBCYP3A4
SCHEMBL77379 0.86 NPC1 (0.40) NPC1RAB9ALMNAPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574094-B UV curable composition for stain resistance 巴斯夫欧洲公司 2023-07-21 CN disclosed
CN-116211020-A Footwear sole structure with composite elements and method for making the same 耐克创新有限合伙公司 2023-06-06 CN disclosed
CN-116144066-A Method for producing thermoplastic foam articles 耐克创新有限合伙公司 2023-05-23 CN disclosed
CN-116138540-A Two-part sole structure and use thereof 耐克创新有限合伙公司 2023-05-23 CN disclosed
CN-116120721-A Thermoplastic foam article 耐克创新有限合伙公司 2023-05-16 CN disclosed
EP-0892827-B1 STABILIZER COMPOSITION CLARIANT FINANCE BVI LTD (VG) 2004-07-07 EP disclosed
US-6126861-A FOR STABILIZING NATURAL OR SYNTHETIC ORGANIC POLYMERIC OR PREPOLYMERIC SUBSTRATES AGAINST THE DAMAGE EFFECTED BY LIGHT, HEAT AND/OR OXIDATION CLARIANT FINANCE (BVI) LIMITED (VG) 2000-10-03 US disclosed
EP-0892827-A1 STABILIZER COMPOSITION Clariant Finance (BVI) Limited (VG) 1999-01-27 EP disclosed
WO-1997039051-A1 STABILIZER COMPOSITION CLARIANT FINANCE (BVI) LIMITED (VG) 1997-10-23 WO disclosed