SCHEMBL19254522

SCHEMBL19254522

Cc1ccccc1C(O)C(OC(N)=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
NR3C2 P08235 1/20 0.35
ACP3 P15309 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CHEK2 O96017 1/20 0.32

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
SCHEMBL3436172 0.84 AOC3 (0.42) CYP1A2
SCHEMBL15078326 0.84 CYP3A4 (0.33) KDM4ELMNACYP1A2SMN1; SMN2KCNH2
SCHEMBL15078299 0.84 CYP3A4 (0.33) KDM4ELMNACYP1A2SMN1; SMN2KCNH2
SCHEMBL3435516 0.84 AOC3 (0.42) CYP1A2
SCHEMBL3435962 0.84 AOC3 (0.42) CYP1A2
SCHEMBL17446318 0.83 ALDH1A1 (0.42) ALDH1A1ESR1KDM4EPOLBNR3C2
SCHEMBL17446319 0.83 ALDH1A1 (0.42) ALDH1A1ESR1KDM4EPOLBNR3C2
SCHEMBL19384161 0.80 KDM4E (0.48) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL28636382 0.80 KDM4E (0.48) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL669484 0.80 ALDH1A1 (0.44) ALDH1A1ESR1KDM4EPOLBNR3C2

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
EP-2797878-B1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING STROKE BIO-PHARM SOLUTIONS CO LTD (KR) 2017-08-16 EP disclosed