SCHEMBL7668655

SCHEMBL7668655

COC(=O)c1cccc(C(C)C(=O)O)c1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ TSHR P16473 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ ATM Q13315 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CXCL8 P10145 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CFTR P13569 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSPO P30536 2/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL2439694 0.82 TSHR (0.52) TDP1PTGS1TSHRKDM4EATM
SCHEMBL10937484 0.78 PTGS1 (0.51) PTGS1KMT2ALMNACXCL8PTGS2
SCHEMBL11419763 0.78 KDM4E (0.47) TDP1PTGS1TSHRKDM4EATM
SCHEMBL4955520 0.78 TDP1 (0.54) TDP1TSHRKDM4EATMGAA
SCHEMBL31522017 0.77 TDP1 (0.52) TDP1TSHRKDM4EATMGAA
SCHEMBL28829625 0.77 TDP1 (0.52) TDP1TSHRKDM4EATMKMT2A
SCHEMBL28328625 0.77 TDP1 (0.52) TDP1TSHRKDM4EATMKMT2A
SCHEMBL9715759 0.75 TSHR (0.45) TDP1PTGS1TSHRKDM4EATM
Dimethyl Phthalate SCHEMBL28487305 0.75 TDP1 (0.65) TDP1TSHRKDM4EATMKMT2A
SCHEMBL10938264 0.74 CYP1A2 (0.47) TDP1PTGS1TSHRGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231939-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 — — EP disclosed
WO-2001034135-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 — — WO disclosed
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