SCHEMBL21500784

SCHEMBL21500784

Cc1cc(C(C)(C)C)c(ON)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CA2 P00918 1/20 0.50
POLB P06746 1/20 0.50
TYR P14679 1/20 0.50
HSPA5 P11021 1/20 0.41
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 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
SCHEMBL15624221 0.87 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL28833258 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL11647740 0.80 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL5857102 0.78 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL30503396 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL21549468 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL2868170 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL2868169 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL12225261 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL27704633 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322938-A1 LIQUID CRYSTAL MEDIUM MIXTURE, LIQUID CRYSTAL DISPLAY PANEL AND MANUFACTURING METHOD OF LIQUID CRYSTAL DISPLAY PANEL SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2019-10-24 US disclosed
WO-2019200646-A1 LIQUID CRYSTAL MEDIUM MIXTURE, LIQUID CRYSTAL DISPLAY PANEL, AND PREPARATION METHOD FOR LIQUID CRYSTAL DISPLAY PANEL 深圳市华星光电半导体显示技术有限公司 2019-10-24 WO disclosed