SCHEMBL5034601

SCHEMBL5034601

C=Cc1ccc(CCCC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
THRB P10828 6/20 0.35
THRA P10827 5/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
SPHK1 Q9NYA1 2/20 0.34
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33

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
SCHEMBL10492535 0.93 HIF1A (0.41) ALDH1A1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL5034577 0.88 ALDH1A1 (0.46) ALDH1A1THRBTAS1R3TAS1R1TSHR
SCHEMBL1164759 0.87 ALDH1A1 (0.41) ALDH1A1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL177912 0.81 ALDH1A1 (0.58) ALDH1A1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL1140696 0.81 ALDH1A1 (0.58) ALDH1A1THRBTHRALMNATSHR
SCHEMBL4088525 0.81 TYR (0.45) ALDH1A1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL10398164 0.81 ESR1 (0.44) ALDH1A1THRBLMNAMEN1KMT2A
SCHEMBL6278400 0.79 ALDH1A1 (0.55) ALDH1A1THRBTHRALMNATSHR
SCHEMBL3797757 0.79 ALDH1A1 (0.55) ALDH1A1THRBTHRALMNATSHR
SCHEMBL594419 0.79 ALDH1A1 (0.55) ALDH1A1THRBTHRALMNATSHR

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 10 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
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