SCHEMBL4012265

SCHEMBL4012265

NC1(C(=O)O)c2ccccc2CCC1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC9 Q9UKV0 1/20 0.37
KIF11 P52732 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL7376873 0.76 HTR1A (0.35) HTR2AHTR2CHTR2BSIGMAR1LMNA
SCHEMBL10446610 0.75 SIGMAR1 (0.42) HTR2AHTR2CHTR2BSIGMAR1KDM1A
SCHEMBL7346477 0.74 KDM1A (0.38) KDM1ALMNATDP1
SCHEMBL6071126 0.72 GAA (0.40) LMNATDP1
SCHEMBL9515103 0.70 SIGMAR1 (0.43) HTR2AHTR2CHTR2BSIGMAR1KDM1A
SCHEMBL7351257 0.70 KMT2A (0.40) LMNA
SCHEMBL28268454 0.70 HTR2A (0.36) HTR2AHTR2CHTR2BSIGMAR1KDM1A
SCHEMBL28266737 0.70 HTR2A (0.36) HTR2AHTR2CHTR2BSIGMAR1KDM1A
SCHEMBL7852382 0.69 MAPK1 (0.46) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7852383 0.69 MAPK1 (0.46) HTR2AHTR2CHTR2BSIGMAR1

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
WO-2009012376-A1 COMPOSITIONS AND METHODS FOR SKIN CARE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-01-22 WO disclosed