SCHEMBL9537537

SCHEMBL9537537

O=C(ON(C(=O)O)C1CCc2ccccc21)c1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.51
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
TAS1R2 Q8TE23 4/20 0.47
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.40
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL2805550 0.78 RAB9A (0.49) PIN1ALDH1A1TRPM8RAB9AXBP1
SCHEMBL18192240 0.71 HTT (0.44) PIN1TAS1R3TAS1R1ALDH1A1TRPM8
SCHEMBL9200502 0.70 ALDH1A1 (0.46) PIN1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL1665427 0.70 TRPM8 (0.49) PIN1ALDH1A1TSHRTRPM8RAB9A
SCHEMBL28300301 0.69 TRPM8 (0.51) PIN1ALDH1A1TSHRTRPM8RAB9A
SCHEMBL28224648 0.69 TRPM8 (0.51) PIN1ALDH1A1TSHRTRPM8RAB9A
SCHEMBL193593 0.69 RAB9A (0.58) PIN1ALDH1A1TRPM8RAB9AXBP1
SCHEMBL193594 0.69 RAB9A (0.58) PIN1ALDH1A1TRPM8RAB9AXBP1
SCHEMBL192338 0.66 RAB9A (0.48) PIN1ALDH1A1TRPM8RAB9AXBP1
SCHEMBL3418519 0.66 TRPM8 (0.54) PIN1ALDH1A1TRPM8RAB9AXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 US disclosed