SCHEMBL11810550

SCHEMBL11810550

CC(CN1C(C)(C)CCCC1(C)C)OC(=O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.35
CTSB P07858 3/20 0.35
CTSK P43235 3/20 0.35
CTSH P09668 2/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NR1H4 Q96RI1 2/20 0.32
MAPK1 P28482 1/20 0.32
PADI1 Q9ULC6 1/20 0.32
PADI4 Q9UM07 1/20 0.32
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL27932216 0.79 TSHR (0.39) SMN1; SMN2LMNACHRM2CHRM4CHRM1
SCHEMBL11812907 0.79 TSHR (0.39) SMN1; SMN2LMNACHRM2CHRM4CHRM1
SCHEMBL11810557 0.77 ALDH1A1 (0.40) CTSKALDH1A1SMN1; SMN2LMNACHRM2
SCHEMBL11807399 0.74 LMNA (0.33) ALDH1A1SMN1; SMN2LMNATSHRNFKB1
SCHEMBL14325583 0.73 SMN1; SMN2 (0.40) CTSLCTSBCTSKCTSHALDH1A1
SCHEMBL2980853 0.73 ALDH1A1 (0.42) CTSLCTSBCTSKCTSHALDH1A1
SCHEMBL2987026 0.73 ALDH1A1 (0.42) CTSLCTSBCTSKCTSHALDH1A1
SCHEMBL2987876 0.73 ALDH1A1 (0.42) CTSLCTSBCTSKCTSHALDH1A1
SCHEMBL2240092 0.73 ALDH1A1 (0.42) CTSLCTSBCTSKCTSHALDH1A1
SCHEMBL2984192 0.73 ALDH1A1 (0.42) CTSLCTSBCTSKCTSHALDH1A1

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-3975357-A SUBSTITUTED PIPERIDINES SANKYO COMPANY LIMITED (JA) 1976-08-17 US disclosed