SCHEMBL4116458

SCHEMBL4116458

CC(C)(C)OOc1ccccc1OOC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RIPK1 Q13546 1/20 0.33
TP53 P04637 1/20 0.33
ELANE P08246 1/20 0.33
ADRA2B P18089 1/20 0.33
PTGS1 P23219 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 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
SCHEMBL21590124 0.85 TSHR (0.36) CA1CA2CA7CA9CA12
SCHEMBL28574562 0.84 TDP1 (0.42) CA2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL10420584 0.83 ALDH1A1 (0.43) ALDH1A1TSHRTDP1HSD17B10TP53
SCHEMBL10420585 0.82 HSD17B10 (0.46) CA1CA2CA7CA9CA12
SCHEMBL7942472 0.82 PTGS2 (0.50) ALDH1A1TSHRTDP1MAPK1HSD17B10
SCHEMBL24772857 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1HSD17B10PTGS1
SCHEMBL181204 0.80 CYP1A2 (0.40) CA1CA2ALDH1A1TSHRADRA2B
SCHEMBL23151887 0.80 MAPK1 (0.40) CA1CA2CA7CA9CA12
SCHEMBL31235703 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1HSD17B10PTGS1
SCHEMBL29350441 0.80 CYP1A2 (0.40) CA1CA2ALDH1A1TSHRADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115537023-A Thermosetting resin material, prepreg, and metal substrate 南亚塑胶工业股份有限公司 2022-12-30 CN disclosed
CN-111727215-B Antioxidant-containing methane-forming crosslinking composition and articles thereof 博里利斯股份公司 2022-08-09 CN disclosed
CN-114651042-A Semiconducting polymer composition 博里利斯股份公司 2022-06-21 CN disclosed
CN-111492444-B Cable made of a crosslinkable composition free of antioxidants and having advantageous methane formation 博里利斯股份公司 2022-06-14 CN disclosed
CN-111107985-B Curable HNBR compositions having high thermal conductivity 阿朗新科德国有限责任公司 2022-06-07 CN disclosed
CN-111491996-B Cable made of a crosslinkable composition with an antioxidant and advantageously methane formation 博里利斯股份公司 2022-05-24 CN disclosed
CN-114437532-A Circuit board material, prepreg and circuit board 南亚塑胶工业股份有限公司 2022-05-06 CN disclosed
CN-114341251-A Semiconductor polymer composition 北欧化工股份公司 2022-04-12 CN disclosed
CN-111378167-A Dynamic polymer with hybrid cross-linked network 翁秋梅 2020-07-07 CN disclosed
US-20090244729-A1 METHOD FOR MANUFACTURING OPTICAL ELEMENT, OPTICAL ELEMENT UNIT, AND IMAGING UNIT KONICA MINOLTA OPTO, INC. (JP) 2009-10-01 US disclosed
CN-100473686-C Rubber composition for cleaning and stripping mould NALA CHEMICAL CO LTD (KR) 2009-04-01 CN disclosed
CN-1727387-A Rubber compsns. for cleaning and stripping mould NALA CHEMICAL CO LTD (KR) 2006-02-01 CN disclosed
US-6255778-B1 Plasma display panel having electromagnetic wave shielding material attached to front surface of display BRIDGESTONE CORPORATION (JP) 2001-07-03 US disclosed