Bimatoprost

Bimatoprost

SCHEMBL12087441

CCNC(=O)CCC/C=C\C[C@H]1C(O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGFR

The experimentally established mechanism targets of Bimatoprost. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGFR known ✓ P43088 8/20 0.80
ABCB11 O95342 1/20 1.00
AKR1C3 P42330 1/20 1.00
PTGER3 P43115 4/20 0.80
CA2 P00918 1/20 0.64
TBXA2R P21731 3/20 0.63
MGLL Q99685 1/20 0.61
ALDH1A1 P00352 3/20 0.59
PTGER1 P34995 2/20 0.59
SLCO2A1 Q92959 2/20 0.59
LMNA P02545 1/20 0.59
PTGER4 P35408 1/20 0.59
PTGDR Q13258 1/20 0.59
KDM4E B2RXH2 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 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
Bimatoprost SCHEMBL12076310 1.00 ABCB11 (1.00) ABCB11AKR1C3PTGFRPTGER3CA2
Bimatoprost SCHEMBL12076308 1.00 ABCB11 (1.00) ABCB11AKR1C3PTGFRPTGER3CA2
Bimatoprost SCHEMBL15676045 1.00 ABCB11 (1.00) ABCB11AKR1C3PTGFRPTGER3CA2
Bimatoprost SCHEMBL10071736 1.00 ABCB11 (1.00) ABCB11AKR1C3PTGFRPTGER3CA2
Bimatoprost SCHEMBL14201686 1.00 ABCB11 (1.00) ABCB11AKR1C3PTGFRPTGER3CA2
Bimatoprost SCHEMBL15676044 1.00 ABCB11 (1.00) ABCB11AKR1C3PTGFRPTGER3CA2
Bimatoprost SCHEMBL399001 1.00 ABCB11 (1.00) ABCB11AKR1C3PTGFRPTGER3CA2
Bimatoprost SCHEMBL12736967 1.00 ABCB11 (1.00) ABCB11AKR1C3PTGFRPTGER3CA2
Bimatoprost SCHEMBL22364345 1.00 ABCB11 (1.00) ABCB11AKR1C3PTGFRPTGER3CA2
Bimatoprost SCHEMBL15180642 1.00 ABCB11 (1.00) ABCB11AKR1C3PTGFRPTGER3CA2

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-2495235-B1 Process for the synthesis of prostaglandins and intermediates thereof NEWCHEM S P A (IT) 2015-08-05 EP disclosed
EP-2495235-A1 Process for the synthesis of prostaglandins and intermediates thereof Newchem S.p.A. (IT) 2012-09-05 EP disclosed