SCHEMBL7667993

SCHEMBL7667993

CCCCC[C@H](O)C=C[C@@H]1[C@@H](CC=CCCCC(=O)OC)[C@@H](O)C[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
KDM4E B2RXH2 1/20 1.00
HKDC1 Q2TB90 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
SAE1 Q9UBE0 1/20 1.00
UBA2 Q9UBT2 1/20 1.00
PTGFR P43088 7/20 0.79
LMNA P02545 3/20 0.79
PTGER4 P35408 2/20 0.79
PTGER3 P43115 2/20 0.79
TBXA2R P21731 1/20 0.79
PTGER1 P34995 1/20 0.79
PTGDR Q13258 1/20 0.79
SLCO2A1 Q92959 1/20 0.79
HPGD P15428 2/20 0.70
TSHR P16473 1/20 0.70
MAPK1 P28482 1/20 0.70
HIF1A Q16665 1/20 0.70
ABCC4 O15439 1/20 0.69
PDE4D Q08499 2/20 0.65

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
SCHEMBL14140434 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7667989 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7667980 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL19403624 0.91 ALDH1A1 (0.83) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL18932898 0.91 ALDH1A1 (0.83) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11494330 0.90 ALDH1A1 (0.82) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL29354562 0.90 ALDH1A1 (0.82) ALDH1A1KDM4EHKDC1TDP1SAE1
Dinoprost SCHEMBL23352547 0.89 PTGFR (1.00) ALDH1A1KDM4EHKDC1TDP1SAE1
Dinoprost SCHEMBL18027080 0.89 PTGFR (1.00) ALDH1A1KDM4EHKDC1TDP1SAE1
Dinoprost SCHEMBL25329567 0.89 PTGFR (1.00) ALDH1A1KDM4EHKDC1TDP1SAE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6359181-B1 THERAPY FOR VISION DEFECTS ALLERGAN SALES, INC. 2002-03-19 US disclosed
US-6307092-B1 POTENT OCULAR HYPOTENSIVES AND ARE PARTICULARLY SUITED FOR THE MANAGEMENT OF GLAUCOMA. ALLERGAN SALES, INC. 2001-10-23 US disclosed
US-6248783-B1 GLAUCOMA THERAPY ALLERGAN SALES, INC. 2001-06-19 US disclosed