SCHEMBL6937090

SCHEMBL6937090

CC1NC(c2ccccc2)C(C(=O)O)O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
CYP2D6 P10635 1/20 0.41
EPHX1 P07099 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 1/20 0.35
EDNRA P25101 1/20 0.34
CYP2C19 P33261 1/20 0.33
ACHE P22303 1/20 0.33
PPARG P37231 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL27388087 0.84 CYP2D6 (0.53) CHRNA7CYP2D6SMN1; SMN2TSHRPOLB
SCHEMBL7836631 0.76 ALDH1A1 (0.51) CYP2D6SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL7836638 0.76 ALDH1A1 (0.51) CYP2D6SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL15713298 0.76 ALDH1A1 (0.51) CYP2D6SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL18091184 0.76 ALDH1A1 (0.51) CYP2D6SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8863060 0.76 EPHX1 (0.37) CHRNA7CYP2D6EPHX1SMN1; SMN2TSHR
SCHEMBL8143137 0.76 EPHX1 (0.37) CHRNA7CYP2D6EPHX1SMN1; SMN2TSHR
SCHEMBL8476572 0.76 EPHX1 (0.37) CHRNA7CYP2D6EPHX1SMN1; SMN2TSHR
SCHEMBL4729434 0.75 MEN1 (0.43) CYP2D6MEN1KMT2APOLBTDP1
SCHEMBL4729436 0.75 MEN1 (0.43) CYP2D6MEN1KMT2APOLBTDP1

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
EP-1370541-A1 METHOD OF PREPARATION OF PACLITAXEL (TAXOL) USING 3-(ALK-2-YNYLOXY) CARBONYL-5-OXAZOLIDINE CARBOXYLIC ACID Dabur India Limited (IN) 2003-12-17 EP disclosed
WO-2002066448-A1 METHOD OF PREPARATION OF PACLITAXEL (TAXOL) USING 3-(ALK-2-YNYLOXY) CARBONYL-5-OXAZOLIDINE CARBOXYLIC ACID DABUR INDIA LIMITED (IN) 2002-08-29 WO disclosed