SCHEMBL28893425

SCHEMBL28893425

Cc1ccccc1-c1cccc(OCCCCl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.41
▸ HPGD P15428 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ MCL1 Q07820 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39

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
SCHEMBL28959994 0.86 HPGD (0.45) L3MBTL1HPGDTSHRRAB9ANPC1
SCHEMBL30668196 0.85 HTR1B (0.46) L3MBTL1HPGDTSHRRAB9ANPC1
SCHEMBL28960000 0.85 HTR1B (0.46) L3MBTL1HPGDTSHRRAB9ANPC1
SCHEMBL30394059 0.85 CD274 (0.39) L3MBTL1HPGDTSHRRAB9ANPC1
SCHEMBL19897916 0.85 CD274 (0.39) L3MBTL1HPGDTSHRRAB9ANPC1
SCHEMBL10681054 0.81 HTR1B (0.45) L3MBTL1HPGDTSHRRAB9ANPC1
SCHEMBL10677209 0.80 TP53 (0.49) L3MBTL1TSHRRAB9AALDH1A1TDP1
SCHEMBL11020759 0.80 ALDH1A1 (0.45) L3MBTL1HPGDTSHRRAB9ANPC1
SCHEMBL3433833 0.79 CYP2D6 (0.56) L3MBTL1HPGDTSHRRAB9ANPC1
SCHEMBL11097966 0.78 CYP1A2 (0.47) L3MBTL1TSHRRAB9ANPC1MAPT

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-108368090-B Compounds as immunomodulators 百时美施贵宝公司 2022-04-12 — — CN disclosed
Send feedback