SCHEMBL15716418

SCHEMBL15716418

COC(=O)c1cc(OCc2ccccc2)c(OCC(=O)O)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.51
▸ USP2 O75604 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTPN6 P29350 3/20 0.45
▸ PTPN2 P17706 2/20 0.45
▸ SRD5A2 P31213 2/20 0.43
▸ SRD5A1 P18405 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ CTSG P08311 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
SCHEMBL15716144 0.92 ALDH1A1 (0.49) PTPN1USP2ALDH1A1TSHRHSD17B10
SCHEMBL10592075 0.80 SRD5A2 (0.58) PTPN1USP2ALDH1A1TSHRHSD17B10
SCHEMBL7879867 0.75 SRD5A2 (0.51) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL7157950 0.74 SRD5A1 (0.51) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL7174106 0.73 SRD5A2 (0.50) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL8323967 0.73 SRD5A2 (0.50) PTPN1USP2ALDH1A1TSHRHSD17B10
SCHEMBL6595625 0.72 SRD5A2 (0.77) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL20605051 0.72 SRD5A2 (0.49) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL20597207 0.72 SRD5A2 (0.49) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL20604836 0.72 SRD5A2 (0.49) USP2ALDH1A1TSHRHSD17B10LMNA

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
EP-2920157-A1 DI-MACROCYCLES Lumiphore, Inc. (US) 2015-09-23 — — EP disclosed
WO-2014078690-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2014-05-22 — — WO disclosed
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