SCHEMBL3433160

SCHEMBL3433160

C(OCC1CO1)C1CO1.c1ccc(-c2ccc3c(c2-c2ccccc2)Cc2ccccc2-3)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.38
▸ SQOR Q9Y6N5 1/20 0.36
▸ PNMT P11086 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MGLL Q99685 4/20 0.35
▸ PGR P06401 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ PTPN1 P18031 1/20 0.32

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
SCHEMBL28231068 1.00 TDP1 (0.38) TDP1SQORPNMTADORA2AADORA1
SCHEMBL27729373 0.88 PNMT (0.41) TDP1PNMTMGLLALDH1A1
SCHEMBL28375116 0.86 MGLL (0.38) TDP1PNMTMGLLPGR
SCHEMBL9069715 0.85 TDP1 (0.49) TDP1SQORPNMTADORA2AADORA1
SCHEMBL28376631 0.85 TDP1 (0.38) TDP1SQORPNMTADORA2AADORA1
SCHEMBL28234626 0.84 MEN1 (0.43) MGLL
Alcohol SCHEMBL28004110 0.84 PNMT (0.38) TDP1PNMTMGLLALDH1A1GLA
Fluorene SCHEMBL22588161 0.83 TDP1 (0.46) TDP1MGLLALDH1A1GLA
SCHEMBL29766669 0.82 ADORA2A (0.47) SQORPNMTADORA2AADORA1PGR
SCHEMBL150217 0.82 ADORA2A (0.47) SQORPNMTADORA2AADORA1PGR

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
EP-2258741-A1 Resin composition for optical components and optical component using the same Nitto Denko Corporation (JP) 2010-12-08 — — EP disclosed
US-20100292358-A1 RESIN COMPOSITION FOR OPTICAL COMPONENTS AND OPTICAL COMPONENT USING THE SAME NITTO DENKO CORPORATION (JP) 2010-11-18 — — US disclosed
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