SCHEMBL21753830

SCHEMBL21753830

O=C(O)Cc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 6/20 0.75
▸ ABCC4 O15439 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ GAA P10253 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ PTGS1 P23219 1/20 0.71
▸ HTT P42858 1/20 0.71
▸ NR3C1 P04150 2/20 0.65
▸ FFAR1 O14842 3/20 0.61
▸ MMP12 P39900 1/20 0.59
▸ MMP13 P45452 1/20 0.59
▸ AKR1B1 P15121 1/20 0.57
▸ LTA4H P09960 1/20 0.55
▸ PTGDR2 Q9Y5Y4 1/20 0.55
▸ NR1H4 Q96RI1 1/20 0.51

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
SCHEMBL1145770 0.94 SRD5A2 (0.83) SRD5A2ABCC4LMNAGAATSHR
SCHEMBL21243832 0.88 SRD5A2 (0.72) SRD5A2ABCC4LMNAGAATSHR
SCHEMBL2999416 0.88 SRD5A2 (0.72) SRD5A2ABCC4LMNAGAATSHR
SCHEMBL8969156 0.85 SRD5A2 (0.70) SRD5A2ABCC4LMNAGAATSHR
Felbinac SCHEMBL26084 0.84 LMNA (1.00) ABCC4LMNAGAATSHRPTGS1
SCHEMBL5926621 0.82 FFAR1 (0.90) SRD5A2FFAR1MMP12MMP13AKR1B1
Felbinac SCHEMBL8844919 0.82 LMNA (0.95) ABCC4LMNAGAATSHRPTGS1
Felbinac SCHEMBL384892 0.82 LMNA (0.95) ABCC4LMNAGAATSHRPTGS1
Felbinac SCHEMBL28284677 0.82 LMNA (0.95) SRD5A2ABCC4LMNAGAATSHR
Felbinac SCHEMBL28286222 0.82 LMNA (0.95) ABCC4LMNAGAATSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020040326-A1 PHENYLACETIC ACID DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 가천대학교 산학협력단 2020-02-27 — — WO disclosed
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