SCHEMBL5033232

SCHEMBL5033232

C=Cc1ccc(CC(CC)CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
TSHR P16473 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
SLC6A4 P31645 6/20 0.35
TRPA1 O75762 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MAOA P21397 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 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
Phosphonic Acid SCHEMBL1421068 0.89 TAS1R3 (0.38) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL3669411 0.89 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL19066605 0.89 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL489052 0.86 BDKRB2 (0.39) ALDH1A1TAS1R3TAS1R1TSHRCA1
Ammonia Solution, Strong SCHEMBL19066625 0.82 TAS1R3 (0.44) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL5039083 0.82 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL4907665 0.82 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL3669842 0.80 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL30200268 0.79 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL3474952 0.79 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4

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
WO-2023164430-A1 CURABLE COMPOSITIONS AGC Multi Material America, Inc. (US) 2023-08-31 WO 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