SCHEMBL11344787

SCHEMBL11344787

O=C1NC(=O)C2(CCCc3c(O)cccc32)N1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.67
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL11331299 0.82 AKR1B1 (0.58) AKR1B1TSHRTDP1
SCHEMBL11462351 0.81 AKR1B1 (0.57) AKR1B1TSHRTDP1
SCHEMBL1395366 0.80 AKR1B1 (1.00) AKR1B1TSHRTDP1
SCHEMBL11347834 0.78 AKR1B1 (0.53) AKR1B1TSHRTDP1
SCHEMBL17605411 0.78 TSHR (0.59) AKR1B1TSHRTDP1
SCHEMBL11482931 0.76 AKR1B1 (0.58) AKR1B1TSHRTDP1
SCHEMBL17605535 0.75 TSHR (0.59) AKR1B1TSHRTDP1
SCHEMBL17606416 0.75 TSHR (0.59) AKR1B1TSHRTDP1
SCHEMBL17606122 0.73 TSHR (1.00) AKR1B1TSHRTDP1
SCHEMBL10599632 0.73 TSHR (1.00) AKR1B1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4282229-A FOR DIABETIC COMPLICATIONS PFIZER INC. (US) 1981-08-04 US disclosed
US-4258054-A ANTIDIABETIC PFIZER INC. (US) 1981-03-24 US disclosed
US-4210756-A Tetrahydroquinoline hydantoins for chronic diabetic complications PFIZER INC. (US) 1980-07-01 US disclosed
US-4209630-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1980-06-24 US disclosed
US-4147795-A ENZYME INHIBITORS PFIZER INC. (US) 1979-04-03 US disclosed
US-4117230-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1978-09-26 US disclosed