SCHEMBL11768343

SCHEMBL11768343

CSc1cc(OCCC(C)C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 6/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 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
▸ TTR P02766 7/20 0.43
▸ LTB4R2 Q9NPC1 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ AKR1B1 P15121 1/20 0.39
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ CSF1R P07333 1/20 0.37

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
SCHEMBL11769118 0.90 KDM4E (0.47) LTB4RKDM4EMEN1ALDH1A1TP53
SCHEMBL11768632 0.89 LTB4R (0.54) LTB4RKDM4EMEN1ALDH1A1TP53
SCHEMBL11772690 0.88 LTB4R (0.60) LTB4RKDM4EMEN1ALDH1A1TP53
SCHEMBL11767654 0.88 LTB4R (0.58) LTB4RKDM4EMEN1ALDH1A1TP53
SCHEMBL11767465 0.87 LTB4R (0.62) LTB4RALDH1A1TP53HPGDTTR
SCHEMBL11767218 0.87 LTB4R (0.62) LTB4RALDH1A1TP53HPGDTTR
SCHEMBL11765543 0.87 LTB4R (0.62) LTB4RALDH1A1TP53HPGDTTR
SCHEMBL11769209 0.87 KDM4E (0.50) LTB4RKDM4EMEN1ALDH1A1TP53
SCHEMBL11774953 0.87 TTR (0.49) LTB4RKDM4EMEN1ALDH1A1TP53
SCHEMBL11769425 0.85 KDM4E (0.57) LTB4RKDM4EMEN1ALDH1A1TP53

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 8 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
US-3951618-A Method of use of, and compositions containing, disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-20 — — US disclosed
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