SCHEMBL7401284

SCHEMBL7401284

CC(O)CC1(CN)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
CACNA2D1 P54289 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL21409647 0.86 TSHR (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL860116 0.82 USP2 (0.43) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1111457 0.80 TDP1 (0.33)
SCHEMBL1111492 0.80 TDP1 (0.33)
SCHEMBL10065580 0.77 USP2 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL23509325 0.75 KDM4E (0.32) SMN1; SMN2
SCHEMBL2633895 0.75 USP2 (0.35) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL2755817 0.74 TDP1 (0.32)
SCHEMBL13377909 0.74 USP2 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL8730256 0.73 PTPN11 (0.33) TSHR

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
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed