SCHEMBL11770435

SCHEMBL11770435

CCCOc1cc([S+]([O-])CCC)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 8/20 0.51
▸ TTR P02766 8/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGDR Q13258 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LTB4R2 Q9NPC1 3/20 0.42
▸ AKR1B1 P15121 1/20 0.41
▸ CSF1R P07333 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL11770714 0.94 LTB4R (0.58) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11493293 0.94 LTB4R (0.49) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11766622 0.93 LTB4R (0.47) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11770502 0.93 LTB4R (0.52) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11768131 0.91 LTB4R (0.53) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11768172 0.90 TTR (0.46) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11769288 0.88 LTB4R (0.50) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11769846 0.88 LTB4R (0.59) LTB4RTTRALDH1A1TP53HPGD
SCHEMBL11771001 0.88 KDM4E (0.53) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11485522 0.86 LTB4R (0.49) LTB4RTTRKDM4EMEN1ALDH1A1

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
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