SCHEMBL7435756

SCHEMBL7435756

CCOC(=O)c1ccccc1N(Oc1ccccc1)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.54
▸ ALDH1A1 P00352 5/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ MAPK10 P53779 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PTK2B Q14289 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42

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
SCHEMBL7436450 0.82 TSPO (0.44) TSHRALDH1A1HSD17B10TDP1KDM4E
SCHEMBL4908178 0.76 KMT2A (0.48) TSHRALDH1A1HSD17B10MAPK1CYP1A2
SCHEMBL29387070 0.76 TSHR (0.69) TSHRALDH1A1HSD17B10MAPK10TDP1
SCHEMBL180024 0.76 TSHR (0.69) TSHRALDH1A1HSD17B10MAPK10TDP1
Diethyl Phthalate SCHEMBL2206814 0.75 TSHR (0.88) TSHRALDH1A1HSD17B10TDP1MAPK1
Diethyl Phthalate SCHEMBL28775845 0.75 TSHR (0.95) TSHRALDH1A1HSD17B10MAPK10TDP1
Diethyl Phthalate SCHEMBL19252611 0.75 TSHR (0.95) TSHRALDH1A1HSD17B10MAPK10TDP1
SCHEMBL5696478 0.74 CDC25B (0.41) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL3454897 0.74 TSHR (0.67) TSHRALDH1A1HSD17B10MAPK10TDP1
Ammonia Solution, Strong SCHEMBL10715942 0.74 TSHR (0.67) TSHRALDH1A1HSD17B10MAPK10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0364493-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1990-04-25 — — EP claimed
WO-1989001488-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1989-02-23 — — WO claimed
EP-0364493-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1990-04-25 — — EP disclosed
WO-1989001488-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1989-02-23 — — WO disclosed
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