SCHEMBL10683094

SCHEMBL10683094

Oc1ncccc1OC(F)(F)C(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL10683029 0.81 LTA4H (0.41) ALDH1A1TSHRHSD17B10RECQLMEN1
SCHEMBL30827599 0.79 RXRA (0.41)
SCHEMBL27252060 0.79 RXRA (0.41)
SCHEMBL7751671 0.77 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10RECQLMEN1
SCHEMBL189173 0.72 TRPV4 (0.41) MAPTKMT2AKDM4E
SCHEMBL7751907 0.70 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10RECQLMEN1
SCHEMBL3073557 0.70 TDP1 (0.51) ALDH1A1TSHRRECQLMEN1USP2
SCHEMBL2940314 0.69 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10RECQLMEN1
SCHEMBL1359631 0.69 RECQL (0.33) ALDH1A1TSHRHSD17B10RECQL
SCHEMBL4432486 0.68 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10RECQLMEN1

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
US-4756739-A Herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
EP-0227047-A2 Pyridine derivatives and their N-oxides, process for their preparation and their use as intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-01 EP disclosed