SCHEMBL4848573

SCHEMBL4848573

Cc1ccc(Cc2cccc(C(=O)O)c2Cc2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
AKR1C3 P42330 1/20 0.47
SRD5A2 P31213 1/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
PTPN1 P18031 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
FOLH1 Q04609 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6653624 0.90 AKR1C3 (0.53) TSHRAKR1C3SRD5A2HSD17B10TP53
SCHEMBL4777002 0.86 TSHR (0.59) TSHRCA1CA2CA9ALDH1A1
SCHEMBL11294507 0.85 TSHR (0.54) TSHRHSD17B10CA1CA2CA9
SCHEMBL4908158 0.85 TSHR (0.72) TSHRAKR1C3SRD5A2TP53SMN1; SMN2
SCHEMBL4844133 0.84 TSHR (0.53) TSHRCA1CA2CA9ALDH1A1
SCHEMBL9450042 0.84 KDM4E (0.56) TSHRAKR1C3SRD5A2HSD17B10TP53
SCHEMBL3271724 0.78 ALDH1A1 (0.52) TSHRAKR1C3HSD17B10ALDH1A1KDM4E
SCHEMBL6056975 0.78 SRD5A2 (0.53) TSHRAKR1C3SRD5A2HSD17B10SMN1; SMN2
SCHEMBL9505749 0.77 KDM4E (0.51) TSHRHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL28818542 0.76 TSHR (0.47) TSHRCA9PTPN1FOLH1HTT

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
US-7378374-B2 Thermally sensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2008-05-27 US disclosed
US-20060007765-A1 Thermal recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2006-01-12 US disclosed
EP-1541370-A1 THERMAL RECORDING MATERIAL Nippon Paper Industries Co., Ltd. (JP) 2005-06-15 EP disclosed