SCHEMBL5034586

SCHEMBL5034586

C=Cc1ccc(C(CC)CCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
NR1I2 O75469 1/20 0.38
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TSHR P16473 1/20 0.33
GRIA4 P48058 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11215658 0.88 ALDH1A1 (0.50) TAS1R3TAS1R1ALDH1A1ESR1ESR2
SCHEMBL19937453 0.85 ALDH1A1 (0.39) TAS1R3TAS1R1ALDH1A1ESR1ESR2
SCHEMBL1408418 0.85 TAS1R3 (0.46) TAS1R3TAS1R1ALDH1A1ESR1ESR2
SCHEMBL16407305 0.81 ALDH1A1 (0.42) TAS1R3TAS1R1ALDH1A1ESR1ESR2
SCHEMBL1140695 0.80 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1ESR1ESR2
SCHEMBL6285951 0.79 ESR1 (0.59) TAS1R3TAS1R1ALDH1A1ESR1ESR2
SCHEMBL19968156 0.79 ALDH1A1 (0.41) TAS1R3TAS1R1ALDH1A1ESR1ESR2
SCHEMBL5036695 0.79 TP53 (0.43) TAS1R3TAS1R1ALDH1A1ESR1ESR2
SCHEMBL5024850 0.78 TAS1R3 (0.46) TAS1R3TAS1R1ALDH1A1ESR1ESR2
SCHEMBL5133124 0.78 TAS1R3 (0.50) TAS1R3TAS1R1ALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182677-A1 Curable Compositions AGC Multi Material America, Inc. 2024-06-06 US disclosed
CN-118047914-A Curable composition AGC多材料美国有限公司 2024-05-17 CN disclosed
CN-116940608-A Curable composition AGC多材料美国有限公司 2023-10-24 CN disclosed
US-20230265275-A1 Curable Compositions AGC Multi Material America, Inc. 2023-08-24 US disclosed
US-7402645-B2 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20070155923-A1 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-07-05 US disclosed
US-6900273-B1 Low-hygroscopicity low-birefringence resin compositions, molding material obtained therefrom, sheet or film, and optical part HITACHI CHEMICAL CO., LTD. (JP) 2005-05-31 US disclosed
US-20040220342-A1 Low-hygroscopicity low-birefringence resin compositions, molding material, sheet or film obtained therefrom, and optical part YAMASHITA YUKIHIKO (JP) 2004-11-04 US disclosed
EP-1205517-A1 LOW-HYGROSCOPICITY LOW-BIREFRINGENCE RESIN COMPOSITIONS, MOLDING MATERIAL OBTAINED THEREFROM, SHEET OR FILM, AND OPTICAL PART HITACHI CHEMICAL COMPANY, LTD. (JP) 2002-05-15 EP disclosed