SCHEMBL19919902

SCHEMBL19919902

CC(C)(C)c1ccc(SC(C)(C)c2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.51
▸ PTPN5 P54829 1/20 0.50
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ CA12 O43570 1/20 0.42

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
SCHEMBL19919968 0.92 AKR1C2 (0.46) MCL1PTPN5MEN1KMT2AKDM4E
SCHEMBL134234 0.82 HSP90AA1 (0.60) MCL1PTPN5MEN1KMT2AKDM4E
SCHEMBL427276 0.81 HSP90AA1 (0.58) MCL1PTPN5MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL10933935 0.81 HSP90AA1 (0.58) MCL1PTPN5MEN1KMT2AKDM4E
SCHEMBL432204 0.81 HSP90AA1 (0.58) MCL1PTPN5MEN1KMT2AKDM4E
SCHEMBL7087682 0.81 HSP90AA1 (0.58) MCL1PTPN5MEN1KMT2AKDM4E
SCHEMBL9244550 0.76 CSNK2A1 (0.57) MCL1PTPN5MEN1KMT2AKDM4E
SCHEMBL9755159 0.76 CSNK2A1 (0.57) MCL1PTPN5MEN1KMT2AKDM4E
SCHEMBL10464291 0.74 CSNK2A1 (0.55) MCL1PTPN5MEN1KMT2AKDM4E
SCHEMBL9769784 0.74 ACMSD (0.63) MCL1PTPN5MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947346-B2 Polyarylene sulfide resin, method for producing same, poly(arylene sulfonium salt), and method for producing poly(arylene sulfonium salt) DIC CORPORATION (JP) 2021-03-16 — — US disclosed
US-20200157284-A1 POLYARYLENE SULFIDE RESIN, METHOD FOR PRODUCING SAME, POLY(ARYLENE SULFONIUM SALT), AND METHOD FOR PRODUCING POLY(ARYLENE SULFONIUM SALT) DAINIPPON INK & CHEMICALS (JP) 2020-05-21 — — US disclosed
US-10577464-B2 Polyarylene sulfide resin, method for producing same, poly(arylene sulfonium salt), and method for producing poly(arylene sulfonium salt) DIC CORPORATION (JP) 2020-03-03 — — US disclosed
US-20180057635-A1 POLYARYLENE SULFIDE RESIN, METHOD FOR PRODUCING SAME, POLY(ARYLENE SULFONIUM SALT), AND METHOD FOR PRODUCING POLY(ARYLENE SULFONIUM SALT) DIC CORPORATION (JP) 2018-03-01 — — US disclosed
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