SCHEMBL7921619

SCHEMBL7921619

Cc1ccsc1N1CCN(Cc2ccc(C(C)C)cc(O)c2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.43
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TRPA1 O75762 1/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL6139467 0.82 LMNA (0.48) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7921747 0.80 LMNA (0.62) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7921621 0.80 ALDH1A1 (0.76) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7921419 0.80 LMNA (0.50) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7915283 0.80 LMNA (0.50) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7921838 0.78 LMNA (0.60) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7924027 0.78 LMNA (0.48) LMNAALDH1A1TSHRTP53HTT
SCHEMBL7594639 0.77 LMNA (0.61) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL7921771 0.77 LMNA (0.61) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL6139376 0.77 LMNA (0.55) LMNAALDH1A1TSHRTP53HTT

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-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed
EP-0995741-A1 REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-26 EP disclosed