SCHEMBL6245698

SCHEMBL6245698

C=C(C)C(=O)C(CC)(CC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 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
SCHEMBL7207574 0.81 CYP2D6 (0.34) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL29828005 0.81
SCHEMBL3178813 0.80 CYP2D6 (0.48) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL2394487 0.79 CYP2D6 (0.33) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL29152298 0.78 CYP2D6 (0.46) CYP2D6TSHRCYP2C19HIF1AALDH1A1
Phosphine SCHEMBL27351385 0.78 CYP2D6 (0.46) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL29152296 0.78 CYP2D6 (0.46) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL27890864 0.72 CYP2D6 (0.41) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL29511718 0.72 TSHR (0.37) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL9220583 0.71 TET2 (0.33) CYP2D6TSHRCYP2C19HIF1ATET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991005830-A1 ANAEROBICALLY CURING SEALING COMPOUNDS AND THEIR USE TO SEAL PIPE UNIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-05-02 WO claimed
WO-1990008176-A1 ANAEROBICALLY CURING SEALING COMPOUNDS AND THEIR USE FOR SEALING PIPE CONNECTIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-07-26 WO claimed
CN-108883261-A Iontophoretic device for drug delivery and method of making the same 生物传感器硏究所 2018-11-23 CN disclosed
CN-102147546-B Producing method of liquid crystal display element, polymer composition and liquid crystal display element JSR CORP 2015-02-25 CN disclosed
WO-2005027862-A1 ORAL COMPOSITION COMPRISING A COPOLYMER COMPRISING CATIONIC AND ANIONIC OR NEUTRAL COMONOMERS UNILEVER N.V. (NL) 2005-03-31 WO disclosed