SCHEMBL6258079

SCHEMBL6258079

Oc1ccccc1Oc1ccccc1O.Oc1ccccc1Sc1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
CA2 P00918 2/20 0.46
TSHR P16473 2/20 0.46
CA1 P00915 1/20 0.46
LMNA P02545 5/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 4/20 0.43
JAK2 O60674 1/20 0.43
P4HB P07237 2/20 0.40
ALOX15 P16050 6/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HIF1A Q16665 2/20 0.38
NPC1 O15118 1/20 0.38
CA12 O43570 1/20 0.38
GMNN O75496 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
SCHEMBL9232647 0.91 TP53 (0.41) TP53CA2TSHRCA1LMNA
SCHEMBL29446988 0.83 CA2 (0.62) TP53CA2TSHRCA1LMNA
SCHEMBL69003 0.83 ALOX15 (0.53) TP53CA2TSHRCA1LMNA
SCHEMBL11205285 0.83 ALOX15 (0.53) TP53CA2TSHRCA1LMNA
SCHEMBL31339525 0.83 ALOX15 (0.53) TP53CA2TSHRCA1LMNA
SCHEMBL18197 0.83 CA2 (0.62) TP53CA2TSHRCA1LMNA
SCHEMBL7806601 0.81 CA2 (0.59) TP53CA2TSHRCA1LMNA
SCHEMBL10616124 0.81 ALOX15 (0.50) TP53CA2TSHRCA1LMNA
SCHEMBL8539291 0.81 ALOX15 (0.50) TP53CA2TSHRCA1LMNA
Methane SCHEMBL11062496 0.81 CA2 (0.59) TP53CA2TSHRCA1LMNA

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-1585780-A1 METHOD FOR PRODUCING POLYCARBONATES Bayer MaterialScience AG (DE) 2005-10-19 EP disclosed
WO-2004063249-A1 METHOD FOR PRODUCING POLYCARBONATES BAYER MATERIALSCIENCE AG (DE) 2004-07-29 WO disclosed
US-5512631-A HOMO- OR COPOLYCARBONATES, AMORPHOUS POLYAMIDES AND THIOPHENYLALKYL ACRYLATES GRAFTED WITH STYRENE, HALO- OR ALKYL-SUBSTITUTED STYRENES HAVING PREFERRED GLASS TRANSITION TEMPERATURE AND REFRACTIVE INDEX GENERAL ELECTRIC COMPANY (US) 1996-04-30 US disclosed