SCHEMBL9525930

SCHEMBL9525930

CCCCOn1nnc2ccc(C(O)c3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
AMY1A P0DUB6 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
PPARG P37231 2/20 0.38
SLC9A1 P19634 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.35
LTA4H P09960 1/20 0.35
LMNA P02545 1/20 0.35
CYP4Z1 Q86W10 1/20 0.34
FGFR1 P11362 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9524856 0.93 PPARG (0.39) PPARGSLC9A1NPSR1TSHRRXFP1
SCHEMBL9523464 0.88 SMN1; SMN2 (0.43) GAAPPARGSLC9A1NPSR1TSHR
SCHEMBL9527242 0.81 HDAC3 (0.37) GAAPPARGNPSR1TSHRSMN1; SMN2
SCHEMBL9523595 0.79 LMNA (0.37) GAAPPARGNPSR1TSHRSMN1; SMN2
SCHEMBL4080308 0.77 TSHR (0.59) MGAMAMY1AGAASIMGAM2
SCHEMBL9525014 0.74 KEAP1 (0.50) SLC9A1TSHRLMNARAB9AKMT2A
SCHEMBL9523778 0.74 POLB (0.53) PPARGNPSR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL3957403 0.73 TSHR (0.58) MGAMAMY1AGAASIMGAM2
SCHEMBL9523819 0.72 CYP19A1 (0.50) NPSR1ALDH1A1HPGDKMT2A
SCHEMBL9191029 0.72 SLC9A1 (0.57) MGAMAMY1AGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0293978-A2 (1H-azol-1-ylmethyl)substituted benzotriazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-07 EP disclosed