SCHEMBL11767045

SCHEMBL11767045

CCCCCCCCOc1cc(C(C)OC(C)=O)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 4/20 0.53
▸ TP53 P04637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PTGER1 P34995 1/20 0.45
▸ PTGER3 P43115 1/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTGDR Q13258 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PLA2G2A P14555 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PLA2G4B P0C869 3/20 0.42
▸ TTR P02766 1/20 0.42
▸ ACSL1 P33121 2/20 0.41
▸ ACSL6 Q9UKU0 2/20 0.41
▸ RARB P10826 3/20 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
SCHEMBL11785980 0.89 LTB4R (0.56) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11771018 0.87 LTB4R (0.51) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11767789 0.86 LTB4R (0.55) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11767924 0.86 ALDH1A1 (0.50) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11767031 0.85 KDM4E (0.60) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11766419 0.84 LTB4R (0.57) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11767090 0.83 LTB4R (0.58) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11769106 0.83 KMT2A (0.49) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11765568 0.81 KDM4E (0.49) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11768290 0.81 LTB4R (0.63) LTB4RTP53KDM4EMEN1ALDH1A1

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-3989721-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — US disclosed
US-3989720-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — US disclosed
US-3988352-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-10-26 — — US disclosed
US-3979414-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-09-07 — — US disclosed
US-3965115-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-22 — — US disclosed
US-3963753-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 — — US disclosed
US-3963752-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 — — US disclosed
Send feedback