SCHEMBL7207085

SCHEMBL7207085

CC(C)(CC(=O)COP(=O)(O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.39
KCNN4 O15554 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
CETP P11597 3/20 0.37
PTPN1 P18031 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL187685 0.79 CYP2C19 (0.46) CYP2C19HIF1APOLBTAAR1ALDH1A1
SCHEMBL27361323 0.78 TAAR1 (0.44) CYP2C19HIF1APOLBKCNN4TAAR1
SCHEMBL10823218 0.78 CYP2C19 (0.42) CYP2C19HIF1APOLBKCNN4TAAR1
SCHEMBL10823220 0.78 CYP2C19 (0.44) CYP2C19HIF1APOLBKCNN4TAAR1
SCHEMBL23322503 0.76 TAAR1 (0.41) CYP2C19HIF1APOLBKCNN4TAAR1
SCHEMBL10563207 0.75 CYP2C19 (0.48) CYP2C19HIF1APOLBKCNN4TAAR1
SCHEMBL873147 0.74 CYP2C19 (0.52) CYP2C19HIF1AKCNN4TAAR1ALDH1A1
SCHEMBL57411 0.72 CYP2C19 (0.69) CYP2C19HIF1AKCNN4TAAR1ALDH1A1
SCHEMBL24487000 0.71 TSHR (0.48) ALDH1A1CETPKMT2ATSHR
SCHEMBL11285014 0.70 ALOX15 (0.55) CYP2C19ALDH1A1HTTKMT2A

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
EP-0730866-B1 Treatment of optic nerve disorders with prostanoic acid compounds R TECH UENO LTD (JP) 2003-02-19 EP disclosed
US-5773471-A VISION DEFECTS R-TECH UENO, LTD. (JP) 1998-06-30 US disclosed
EP-0730866-A2 Treatment of optic nerve disorders with prostanoic acid compounds R-TECH UENO LTD. (JP) 1996-09-11 EP disclosed