SCHEMBL20102170

SCHEMBL20102170

C=CC(=O)OC(C)(c1ccccc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 6/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNN4 O15554 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
AKT1 P31749 1/20 0.36
ALOX15 P16050 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL13138858 0.84 TGM2 (0.34) THRBMAPTLMNANPSR1NR1H2
SCHEMBL3169549 0.82 CYP2C19 (0.46) CYP2C19HIF1ATHRBMAPTKMT2A
SCHEMBL7939162 0.81 LMNA (0.41) CYP2C19HIF1ATHRBMAPTKMT2A
SCHEMBL4606750 0.81 THRB (0.41) CYP2C19HIF1ATHRBMAPTKMT2A
SCHEMBL21947725 0.81 CYP2C19 (0.44) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL4596471 0.81 ALDH1A1 (0.48) CYP2C19HIF1ATHRBMAPTKMT2A
SCHEMBL30887689 0.81 CYP2C19 (0.44) CYP2C19HIF1ATHRBMAPTKMT2A
SCHEMBL27634486 0.79 CYP2C19 (0.43) CYP2C19HIF1ATHRBMAPTKMT2A
Ethane SCHEMBL28624063 0.79 ALDH1A1 (0.47) CYP2C19HIF1ATHRBMAPTKMT2A
SCHEMBL28188464 0.79 MAPT (0.48) CYP2C19HIF1AMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180120698-A1 PHOTOCURABLE COMPOSITION, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING DEVICE FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed