SCHEMBL6947652

SCHEMBL6947652

CC1CC(=O)c2c(C(=O)O)coc2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
CYP2A6 P11509 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2A13 Q16696 1/20 0.33
STAT3 P40763 1/20 0.32
MAOB P27338 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
IDO1 P14902 1/20 0.31
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL10013879 0.76 ALDH1A1 (0.47) CYP2A6TSHRALDH1A1CYP2A13STAT3
SCHEMBL351647 0.76 ALDH1A1 (0.47) CYP2A6TSHRALDH1A1CYP2A13STAT3
SCHEMBL16931354 0.75 TSHR (0.34) TSHRMAOBLDHA
SCHEMBL6947210 0.75 NTRK3 (0.47) NTRK3NTRK2KDM4EHTT
SCHEMBL6948898 0.74 MAOB (0.36) NTRK3NTRK2MAOBIDO1LDHA
SCHEMBL6948327 0.71 HSD17B10 (0.54) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL760652 0.71 NAMPT (0.42) NTRK3NTRK2ALDH1A1MAOBHSD17B10
SCHEMBL6762871 0.71 NAMPT (0.40) NTRK3NTRK2ALDH1A1MAOBIDO1
SCHEMBL2318795 0.71 NTRK3 (0.59) NTRK3NTRK2ALDH1A1IDO1HSD17B10
SCHEMBL16943023 0.70 LDHA (0.35) NTRK3NTRK2MAOBLDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP claimed
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US claimed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP claimed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO claimed
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP disclosed
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US disclosed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP disclosed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO disclosed