SCHEMBL8690293

SCHEMBL8690293

Cc1ccc(C)c(N2CCN(C(C)(C(=O)O)c3ccccc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 5/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 6/20 0.47
HTT P42858 4/20 0.47
OPRK1 P41145 1/20 0.47
TP53 P04637 3/20 0.46
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL8690321 0.87 AR (0.51) TSHRLMNAALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8691638 0.85 AR (0.50) TSHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL8690764 0.77 ENPP2 (0.45) ALDH1A1
SCHEMBL8691136 0.77 KDM4E (0.52) TSHRMEN1KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL8692936 0.76 KDM4E (0.51) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL8694553 0.75 MEN1 (0.56) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL26698239 0.74 CHRM3 (0.55) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL7592805 0.74 CHRM3 (0.57) SMN1; SMN2
SCHEMBL630705 0.73 KMT2A (0.70) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL4444477 0.73 CYP2B6 (0.59) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789409-A ANTIINFLAMMATORY AGENTS SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 US claimed
US-5789409-A ANTIINFLAMMATORY AGENTS SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 US disclosed