SCHEMBL27966166

SCHEMBL27966166

O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1.O=C(O)c1ccc2c(c1)-c1cc(C(=O)O)ccc1-2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 2/20 0.62
▸ BCL2L1 Q07817 1/20 0.56
▸ BAD Q92934 1/20 0.56
▸ RXRA P19793 6/20 0.55
▸ RXRB P28702 5/20 0.55
▸ TP53 P04637 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ TTR P02766 1/20 0.53
▸ EGFR P00533 1/20 0.52
▸ RXRG P48443 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP2 O95551 1/20 0.49
▸ SRD5A2 P31213 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 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
SCHEMBL68062 0.91 PTPRC (0.72) PTPRCTP53TSHRTTRKDM4E
SCHEMBL69805 0.91 PTPRC (0.72) PTPRCTP53TSHRTTRKDM4E
Hydrochloric Acid SCHEMBL7086253 0.88 PTPRC (0.69) PTPRCTP53TSHRTTRKDM4E
Hydrochloric Acid SCHEMBL6925907 0.88 PTPRC (0.69) PTPRCTP53TSHRTTRKDM4E
Hydrochloric Acid SCHEMBL5667643 0.88 PTPRC (0.69) PTPRCTP53TSHRTTRKDM4E
Hydrochloric Acid SCHEMBL11425710 0.88 PTPRC (0.69) PTPRCTP53TSHRTTRKDM4E
SCHEMBL27867340 0.86 TP53 (0.55) PTPRCBCL2L1BADRXRARXRB
SCHEMBL4620446 0.85 MAP4K4 (0.56) PTPRCRXRARXRBTTREGFR
SCHEMBL27883746 0.84 TP53 (0.52) PTPRCBCL2L1BADRXRARXRB
SCHEMBL503529 0.84 PTPRC (0.84) PTPRCTSHRTTRSRD5A2POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104211689-B Antiviral compounds 吉利德制药有限责任公司 2017-01-18 — — CN disclosed
CN-103977406-B Antiviral compound 吉利德制药有限责任公司 2016-10-19 — — CN disclosed
CN-104230900-A Antiviral compounds GILEAD SCIENCES INC 2014-12-24 — — CN disclosed
CN-104211689-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 — — CN disclosed
CN-104211713-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 — — CN disclosed
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