SCHEMBL4846616

SCHEMBL4846616

c1ccc2cc3cc4c(cc3cc2c1)Cc1cccc2cccc-4c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 8/20 0.53
▸ ALDH1A1 P00352 7/20 0.53
▸ TSHR P16473 6/20 0.53
▸ HPGD P15428 6/20 0.53
▸ MAPK1 P28482 6/20 0.53
▸ TP53 P04637 3/20 0.53
▸ CASP1 P29466 3/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ CASP7 P55210 2/20 0.53
▸ KDM4E B2RXH2 6/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ TYMS P04818 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41

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
SCHEMBL4851856 0.85 SMN1; SMN2 (0.52) HSD17B10ALDH1A1TSHRHPGDMAPK1
SCHEMBL3766146 0.81 TSHR (0.62) HSD17B10ALDH1A1TSHRHPGDMAPK1
SCHEMBL29573523 0.81 TSHR (0.62) HSD17B10ALDH1A1TSHRHPGDMAPK1
Benzo[B]Fluorene SCHEMBL599104 0.81 ALDH1A1 (0.55) HSD17B10ALDH1A1TSHRHPGDMAPK1
Benzo[B]Fluorene SCHEMBL29367443 0.81 ALDH1A1 (0.55) HSD17B10ALDH1A1TSHRHPGDMAPK1
Benzo[B]Fluorene SCHEMBL30914260 0.81 ALDH1A1 (0.55) HSD17B10ALDH1A1TSHRHPGDMAPK1
SCHEMBL1655232 0.80 MEN1 (0.46) HSD17B10ALDH1A1TSHRHPGDMAPK1
SCHEMBL30924248 0.80 MEN1 (0.46) HSD17B10ALDH1A1TSHRHPGDMAPK1
SCHEMBL4851897 0.78 SMN1; SMN2 (0.57) HSD17B10ALDH1A1TSHRHPGDMAPK1
SCHEMBL30157378 0.78 HSD17B10 (0.51) HSD17B10ALDH1A1TSHRHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 — — US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 — — US disclosed
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