SCHEMBL9657291

SCHEMBL9657291

CCCCCCOC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)OCC)c(C(=O)OCC)c1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ESR1 P03372 4/20 0.50
▸ TP53 P04637 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ AKR1C4 P17516 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ NAAA Q02083 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.45
▸ EPHX1 P07099 1/20 0.44

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
SCHEMBL27569356 0.95 ALDH1A1 (0.47) ALDH1A1TSHRLMNAESR1TP53
SCHEMBL27898032 0.95 ALDH1A1 (0.47) ALDH1A1TSHRLMNAESR1TP53
SCHEMBL11499991 0.95 ALDH1A1 (0.56) ALDH1A1TSHRLMNAESR1TP53
SCHEMBL11153151 0.95 ALDH1A1 (0.56) ALDH1A1TSHRLMNAESR1TP53
SCHEMBL810866 0.95 ALDH1A1 (0.56) ALDH1A1TSHRLMNAESR1TP53
SCHEMBL27565469 0.90 NAAA (0.52) ALDH1A1TSHRLMNAESR1TP53
SCHEMBL27657031 0.90 NAAA (0.52) ALDH1A1TSHRLMNAESR1TP53
SCHEMBL27902655 0.90 NAAA (0.52) ALDH1A1TSHRLMNAESR1TP53
SCHEMBL20678516 0.90 NAAA (0.52) ALDH1A1TSHRLMNAESR1TP53
SCHEMBL27466171 0.90 NAAA (0.52) ALDH1A1TSHRLMNAESR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5167657-A Includes citrate ester BAXTER INTERNATIONAL INC. (US) 1992-12-01 — — US disclosed
EP-0396724-A4 PLASTIC COMPOSITION WITH ANTI-HEMOLYTIC EFFECT BAXTER INT (US) 1992-08-19 — — EP disclosed
US-5100401-A Citrate ester, olefin copolymer BAXTER INTERNATIONAL INC. (US) 1992-03-31 — — US disclosed
US-5026347-A Blood bags BAXTER INTERNATIONAL INC. (US) 1991-06-25 — — US disclosed
EP-0396724-A1 PLASTIC COMPOSITION WITH ANTI-HEMOLYTIC EFFECT. BAXTER INT (US) 1990-11-14 — — EP disclosed
WO-1990005496-A1 PLASTIC COMPOSITION WITH ANTI-HEMOLYTIC EFFECT BAXTER INTERNATIONAL INC. (US) 1990-05-31 — — WO disclosed
EP-0134896-A2 Plastic container for blood, blood products and fluid medicaments and their use in a bag system Biotest-Serum-Institut GmbH (DE) 1985-03-27 — — EP disclosed
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