SCHEMBL7248649

SCHEMBL7248649

NCC1(CC(=O)NO)CC[S+]([O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
CACNA2D1 P54289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5394362 0.81 ALDH1A1 (0.59) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5387604 0.79 ALDH1A1 (0.62) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5398395 0.79 ALDH1A1 (0.62) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7252958 0.76 USP2 (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7252552 0.76 USP2 (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7249022 0.76 USP2 (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7248777 0.75 USP2 (0.43) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7253857 0.74 USP2 (0.38) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7249608 0.72 PAOX (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5391357 0.70 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR

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-6545022-B1 Treatment of epilepsy, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, pain, neuropathological disorders, inflammatory diseases, and gastrointestinal disorders PFIZER INC. 2003-04-08 US disclosed