SCHEMBL9775235

SCHEMBL9775235

O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
FKBP1A P62942 9/20 0.47
TSHR P16473 1/20 0.44
ACE P12821 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
DPP4 P27487 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3268475 0.89 FKBP1A (0.50) ALDH1A1FKBP1ATSHRACEMEN1
SCHEMBL9775269 0.88 ACE (0.46) ALDH1A1FKBP1ATSHRACEMEN1
SCHEMBL9877388 0.88 FKBP1A (0.49) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL9878033 0.88 FKBP1A (0.49) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL9774191 0.86 PREP (0.47) FKBP1AACEMEN1KMT2ACYP3A4
SCHEMBL9775300 0.85 ACE (0.44) FKBP1AACEMEN1KMT2ACYP3A4
SCHEMBL13609888 0.84 FKBP1A (0.51) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL19955370 0.84 FKBP1A (0.51) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL9774133 0.84 PREP (0.47) FKBP1AACEMEN1KMT2AUSP2
SCHEMBL9775281 0.84 ALDH1A1 (0.46) ALDH1A1GLAHPGDFKBP1AACE

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
US-5068242-A PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR PSYCHOTROPIC ACTION HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed