SCHEMBL28958706

SCHEMBL28958706

O=C(NCCCCc1ccccc1)c1ccc(Cl)o1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.75
GLA P06280 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
ALDH1A1 P00352 4/20 0.68
NPC1 O15118 3/20 0.68
POLB P06746 1/20 0.62
RAB9A P51151 2/20 0.59
HSP90AA1 P07900 1/20 0.58
NLRP3 Q96P20 1/20 0.58
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PLAAT3 P53816 1/20 0.54
PLAAT5 Q96KN8 1/20 0.54
PLAAT2 Q9NWW9 1/20 0.54
PLAAT4 Q9UL19 1/20 0.54
GFER P55789 1/20 0.53
TRPV1 Q8NER1 2/20 0.52
TSHR P16473 2/20 0.51
MLYCD O95822 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL28958730 0.96 NPC1 (0.74) HPGDGLAL3MBTL1ALDH1A1NPC1
SCHEMBL28958700 0.90 ALDH1A1 (0.73) HPGDGLAL3MBTL1ALDH1A1NPC1
SCHEMBL28958702 0.80 HPGD (0.71) HPGDALDH1A1POLBRAB9AMAPT
SCHEMBL30865543 0.78 NPC1 (0.79) HPGDGLAL3MBTL1ALDH1A1NPC1
SCHEMBL28958744 0.78 MAPT (0.61) HPGDALDH1A1NPC1RAB9AMAPT
SCHEMBL30954338 0.77 L3MBTL1 (0.71) HPGDGLAL3MBTL1ALDH1A1NPC1
SCHEMBL11176654 0.77 NPC1 (0.90) HPGDNPC1POLBRAB9AHSP90AA1
SCHEMBL22546922 0.75 HPGD (0.53) HPGDGLAL3MBTL1ALDH1A1NPC1
SCHEMBL8115111 0.75 NPC1 (0.87) NPC1POLBRAB9AHSP90AA1SMN1; SMN2
SCHEMBL6323713 0.75 CA1 (0.51) HPGDGLAL3MBTL1ALDH1A1NPC1

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
CN-115707699-A Anti-osteoporosis compound and application thereof 中国医学科学院医药生物技术研究所 2023-02-21 CN disclosed