SCHEMBL7947374

SCHEMBL7947374

CN(C)c1cc(Cl)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.35
GMNN O75496 1/20 0.35
HTR3B O95264 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MTOR P42345 1/20 0.35
HTR3A P46098 1/20 0.35
PMP22 Q01453 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
STAT3 P40763 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL3844831 0.84 TPMT (0.46) HTR3EGMNNHTR3BCYP1A2CYP2D6
SCHEMBL31647047 0.77 TP53 (0.40) HTR3EGMNNHTR3BCYP1A2CYP2D6
SCHEMBL31646442 0.77 NOTUM (0.41) HTR3EGMNNHTR3BCYP1A2CYP2D6
SCHEMBL31646897 0.76 STAT3 (0.34) HTR3EGMNNHTR3BCYP1A2CYP2D6
SCHEMBL8955378 0.75 TPMT (0.61) ALOX15TSHRHSD17B10ALDH1A1POLB
SCHEMBL7058435 0.74 CA12 (0.47) ALOX15TSHRHSD17B10STAT3ALDH1A1
SCHEMBL3688381 0.74 ALDH1A1 (0.55) ALOX15TSHRHSD17B10ALDH1A1POLB
SCHEMBL6811311 0.74 SLC13A3 (0.40) TSHRALDH1A1CA12CA1CA9
SCHEMBL31646838 0.72 SMN1; SMN2 (0.44) ALDH1A1GAAMEN1KMT2ANR1H4
SCHEMBL1424585 0.72 KMT2A (0.34) STAT3ALDH1A1TDP1CA12CA1

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-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed