SCHEMBL6703577

SCHEMBL6703577

COC(=O)Cn1c(C(=O)O)cc2c(C)c(C)ccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR2 P41597 2/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL6702995 0.82 HSD17B10 (0.42) HSD17B10MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL13100003 0.78 KDM4E (0.48) HSD17B10MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6703456 0.77 GPR35 (0.51) HSD17B10MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6702333 0.76 GPR35 (0.47) HSD17B10MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6703408 0.76 MAPT (0.58) HSD17B10MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6703370 0.75 F10 (0.51) MAPTALDH1A1SMN1; SMN2GAACCR2
SCHEMBL2476665 0.73 CCR2 (0.60) ALDH1A1KDM4ESMN1; SMN2TSHRKMT2A
SCHEMBL6703464 0.73 KDM4E (0.62) HSD17B10MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6740765 0.73 RAB9A (0.42) HSD17B10ALDH1A1KDM4ECCR2
Hydrochloric Acid SCHEMBL9085791 0.72 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2TSHRKMT2A

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-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed