SCHEMBL4558428

SCHEMBL4558428

Cc1c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CA2 P00918 2/20 0.52
POLB P06746 1/20 0.52
TYR P14679 1/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
HIF1A Q16665 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 4/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 3/20 0.50
CYP1A2 P05177 3/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50

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
SCHEMBL20272914 0.98 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL49284 0.98 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL76570 0.98 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CA2POLBTYR
Calcium SCHEMBL30526370 0.96 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL9765625 0.96 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL6265265 0.94 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL11983836 0.94 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL11343392 0.93 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL9647566 0.91 CYP2C9 (0.52) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL9647562 0.91 CYP2C9 (0.52) ALDH1A1SMN1; SMN2CA2POLBTYR

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
EP-2300487-B1 HIGH PURITY MONOALKYLTIN COMPOUNDS AND USES THEREOF PMC ORGANOMETALLIX INC (US) 2019-03-13 EP disclosed
EP-1498442-B1 Method for the preparation of a polyester block copolymer composition DAICEL CHEM (JP) 2009-02-11 EP disclosed
EP-1498442-A2 Method for the preparation of a polyester block copolymer, a polyester block copolymer composition and method for the preparation thereof Daicel Chemical Industries, Ltd. (JP) 2005-01-19 EP disclosed
US-6315925-B1 USED AS ADDITIVE FOR STABILISING ORGANIC PRODUCTS THAT ARE SUBJECTED TO OXIDATIVE, THERMAL AND/OR LIGHT-INDUCED DEGRADATION CIBA SPECIALTY CHEMICALS CORPORATION 2001-11-13 US disclosed
EP-1120432-A1 PROCESS FOR THE PRODUCTION OF POLYESTER BLOCK COPOLYMERS, POLYESTER BLOCK COPOLYMER COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2001-08-01 EP disclosed