SCHEMBL16640993

SCHEMBL16640993

C=CCOc1ccc(N(CC2CO2)CC2CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ MAPT P10636 6/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 3/20 0.36
▸ TSHR P16473 3/20 0.36

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
SCHEMBL16644931 0.85 CA12 (0.38) CA12CA1CA9CA2CA7
SCHEMBL19116320 0.85 ALDH1A1 (0.39) ALDH1A1MAPTTDP1GAALMNA
SCHEMBL17051352 0.83 CYP2D6 (0.41) CA1CA9CA2CA7ALDH1A1
SCHEMBL24048981 0.82 TDP1 (0.42) ALDH1A1MAPTTDP1GAALMNA
SCHEMBL21704619 0.82 TDP1 (0.42) ALDH1A1MAPTTDP1GAALMNA
SCHEMBL16640991 0.81 TDP1 (0.47) ALDH1A1MAPTNPC1RAB9ATDP1
SCHEMBL12002403 0.81 TDP1 (0.58) ALDH1A1MAPTNPC1RAB9ATDP1
SCHEMBL27630 0.81 TDP1 (0.58) ALDH1A1MAPTNPC1RAB9ATDP1
SCHEMBL21704671 0.81 TDP1 (0.41) ALDH1A1MAPTTDP1GAALMNA
SCHEMBL15246779 0.81 TDP1 (0.58) ALDH1A1MAPTNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902803-B2 Epoxy compound having alkoxy silyl group, composition comprising same, cured product, use thereof and method for preparing epoxy compound having alkoxy silyl group KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2018-02-27 — — US disclosed
US-9902803-B2 Epoxy compound having alkoxy silyl group, composition comprising same, cured product, use thereof and method for preparing epoxy compound having alkoxy silyl group KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2018-02-27 — — US disclosed
US-20150105493-A1 EPOXY COMPOUND HAVING ALKOXY SILYL GROUP, COMPOSITION COMPRISING SAME, CURED PRODUCT, USE THEREOF AND METHOD FOR PREPARING EPOXY COMPOUND HAVING ALKOXY SILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-04-16 — — US disclosed
US-20150105493-A1 EPOXY COMPOUND HAVING ALKOXY SILYL GROUP, COMPOSITION COMPRISING SAME, CURED PRODUCT, USE THEREOF AND METHOD FOR PREPARING EPOXY COMPOUND HAVING ALKOXY SILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-04-16 — — US disclosed
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