SCHEMBL10885697

SCHEMBL10885697

NC(=O)CC(NC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
CASP1 P29466 1/20 0.51
ATM Q13315 1/20 0.49
PSMB1 P20618 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL6156731 0.88 CASP1 (0.60) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL6955527 0.88 CASP1 (0.60) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL6156740 0.88 CASP1 (0.60) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL10885690 0.86 CTRB1 (0.51) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL7285800 0.86 ATM (0.55) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL10979333 0.85 CTRB1 (0.54) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL16201457 0.84 ATM (0.54) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL6958944 0.84 ATM (0.54) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL7134978 0.84 CTRB1 (0.55) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL4998172 0.84 CTRB1 (0.55) CTRB1ALDH1A1CYP1A2CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP disclosed