SCHEMBL6865183

SCHEMBL6865183

Nc1ccc(Oc2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.63
PARP15 Q460N3 2/20 0.63
SRD5A2 P31213 4/20 0.56
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.52
KMT2A Q03164 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP16 Q8N5Y8 1/20 0.50
PARP11 Q9NR21 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
RXRA P19793 2/20 0.49
RXRB P28702 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
BCL2L1 Q07817 1/20 0.48
BAD Q92934 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
SCHEMBL901040 0.94 PARP10 (0.70) PARP10PARP15SRD5A2ALDH1A1CYP3A4
SCHEMBL6869389 0.94 PARP10 (0.70) PARP10PARP15SRD5A2ALDH1A1CYP3A4
SCHEMBL2748100 0.90 PARP15 (0.69) PARP10PARP15SRD5A2HSD17B10ALDH1A1
SCHEMBL31202650 0.90 PARP15 (0.69) PARP10PARP15SRD5A2HSD17B10ALDH1A1
SCHEMBL30307442 0.90 PARP15 (0.69) PARP10PARP15SRD5A2HSD17B10ALDH1A1
SCHEMBL254742 0.88 TP53 (0.60) SRD5A2HSD17B10ALDH1A1CYP3A4TSHR
Diphenylether SCHEMBL29050170 0.86 SRD5A2 (0.69) PARP10PARP15SRD5A2ALDH1A1CYP3A4
SCHEMBL15294825 0.86 PARP10 (0.66) PARP10PARP15SRD5A2ALDH1A1CYP3A4
Water SCHEMBL6461397 0.86 BCL2L1 (0.58) SRD5A2HSD17B10ALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL11742435 0.86 BCL2L1 (0.58) SRD5A2HSD17B10ALDH1A1CYP3A4TSHR

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-6808766-B1 ALIGNMENT AGENT COMPRISING POLYURETHANE OR POLYUREA, USED IN ALIGNMENT OF LIQUID CRYSTAL MOLECULES THAT FORM LIQUID CRYSTAL ALIGNMENT FILM BY IRRADIATING THIN ALIGNMENT FILM FORMED ON SUBSTRATE WITH POLARIZED LIGHT OR ELECTRON RAYS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-26 US disclosed
EP-1111442-A1 TREATING AGENT FOR LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DEVICE USING THE SAME, AND METHOD FOR ALIGNMENT OF LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2001-06-27 EP disclosed