SCHEMBL11807872

SCHEMBL11807872

CC1(NCC(=O)c2ccc3c(c2)Cc2cc(C(=O)CNC4(C)CCCCC4)ccc2O3)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.36
▸ CTNNB1 P35222 8/20 0.36
▸ WNT3A P56704 8/20 0.36
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MAPT P10636 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
SCHEMBL11679296 0.72 KDM4E (0.47) CTNNB1WNT3AHPGDNPC1RAB9A
SCHEMBL11750545 0.70 ALDH1A1 (0.49) CTNNB1WNT3AHPGDTSHRMAPK1
SCHEMBL482960 0.70 PTPN1 (0.46) CTNNB1WNT3AHPGDTSHR
SCHEMBL11794930 0.70 ALDH1A1 (0.45) CTNNB1WNT3AHPGDNPC1TSHR
SCHEMBL11803305 0.69 MAOB (0.64) HPGDHSD17B10NPC1MAPK1RAB9A
SCHEMBL6836837 0.69 CTNNB1 (0.43) CTNNB1WNT3AHPGDTSHRALDH1A1
SCHEMBL11550032 0.69 TBXA2R (0.37) CTNNB1WNT3AHPGDNPC1RAB9A
Hydrochloric Acid SCHEMBL11797777 0.69 ALDH1A1 (0.44) CTNNB1WNT3AHPGDHSD17B10NPC1
Hydrochloric Acid SCHEMBL11748357 0.69 MAOB (0.65) HPGDHSD17B10NPC1MAPK1RAB9A
SCHEMBL11807876 0.68 NPC1 (0.44) CTNNB1WNT3AHSD17B10NPC1RAB9A

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
US-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
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