SCHEMBL9030794

SCHEMBL9030794

NCc1ccc(Cc2ccccc2C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.72
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ FOLH1 Q04609 2/20 0.53
▸ HMGB1 P09429 1/20 0.49
▸ PTPN1 P18031 5/20 0.48
▸ PTPN2 P17706 1/20 0.46
▸ PTPN6 P29350 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ HNF4A P41235 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ MYC P01106 1/20 0.43

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
SCHEMBL23003 0.87 TSHR (0.79) TSHRCA1CA2CA9FOLH1
SCHEMBL9468088 0.86 TSHR (0.68) TSHRCA1CA2CA9FOLH1
SCHEMBL15796669 0.86 TSHR (0.72) TSHRCA1CA2CA9FOLH1
Ammonia Solution, Strong SCHEMBL27527756 0.85 TSHR (0.76) TSHRCA1CA2CA9FOLH1
SCHEMBL28370887 0.85 TSHR (0.76) TSHRCA1CA2CA9FOLH1
SCHEMBL2292722 0.84 TSHR (0.74) TSHRCA1CA2CA9FOLH1
SCHEMBL69041 0.84 TSHR (1.00) TSHRCA1CA2CA9FOLH1
SCHEMBL7759867 0.84 TSHR (0.74) TSHRCA1CA2CA9FOLH1
SCHEMBL29580520 0.84 TSHR (0.74) TSHRCA1CA2CA9FOLH1
SCHEMBL6030710 0.83 TSHR (0.78) TSHRCA1CA2CA9FOLH1

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-0542554-B1 Substituted N-biphenylyl lactams ORTHO PHARMA CORP (US) 1996-01-31 — — EP disclosed
US-5246940-A Angoitensin II receptor antagonist for hypertension, stroke or diabetes ORTHO PHARMACEUTICAL CORPORATION (US) 1993-09-21 — — US disclosed
EP-0542554-A1 Substituted N-biphenylyl lactams ORTHO PHARMACEUTICAL CORPORATION (US) 1993-05-19 — — EP disclosed
US-5182288-A Angiotensin II receptor antagonists ORTHO PHARMACEUTICAL CORPORATION (US) 1993-01-26 — — US disclosed
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