SCHEMBL9724273

SCHEMBL9724273

C[C@](N)(C(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRM2 Q14416 2/20 0.38
GRM3 Q14832 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HTT P42858 2/20 0.37
EPHX1 P07099 3/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
EPHX2 P34913 1/20 0.34
TSHR P16473 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
SCHEMBL10976047 1.00 THRB (0.39) THRBCYP2C9GRM2GRM3ALDH1A1
Carbamic Acid SCHEMBL27703081 0.79 THRB (0.39) THRBCYP2C9GRM2GRM3ALDH1A1
SCHEMBL4990698 0.78 THRB (0.38) THRBCYP2C9ALDH1A1HTTEPHX1
SCHEMBL2190387 0.75 THRB (0.35) THRBCYP2C9GRM2GRM3ALDH1A1
SCHEMBL2194685 0.75 THRB (0.35) THRBCYP2C9GRM2GRM3ALDH1A1
Acetic Acid SCHEMBL700515 0.74 THRB (0.42) THRBCYP2C9ALDH1A1HTTEPHX1
SCHEMBL6865794 0.73 THRB (0.40) THRBCYP2C9GRM2GRM3ALDH1A1
SCHEMBL11633433 0.72 KMT2A (0.36) THRBALDH1A1HTTLMNATSHR
SCHEMBL7715121 0.72 ALDH1A1 (0.40) THRBCYP2C9ALDH1A1HTTEPHX1
SCHEMBL299469 0.72 GRIN2D (0.41) THRBALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134121-A Blocking peptides; therapy for nervous sytem disorders REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-07-28 US disclosed
WO-1989009225-A1 NERVE GROWTH FACTOR PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1989-10-05 WO disclosed
EP-0335637-A2 Nerve growth factor peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1989-10-04 EP disclosed