SCHEMBL22802252

SCHEMBL22802252

CCCCCN1CCN(Cc2ccc(C)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
PLA2G2A P14555 3/20 0.55
SIGMAR1 Q99720 1/20 0.55
HRH1 P35367 1/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TP53 P04637 2/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
CCR3 P51677 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL22802254 0.98 ALDH1A1 (0.64) ALDH1A1LMNAPOLBPLA2G2ASIGMAR1
SCHEMBL22790774 0.95 ALDH1A1 (0.68) ALDH1A1LMNAPOLBPLA2G2ASIGMAR1
SCHEMBL22790776 0.88 RAB9A (0.57) ALDH1A1LMNAPOLBPLA2G2AHRH1
SCHEMBL22802248 0.87 ALDH1A1 (0.72) ALDH1A1LMNAPOLBSIGMAR1MEN1
Hydrochloric Acid SCHEMBL10502877 0.87 LMNA (0.67) ALDH1A1LMNAPOLBHRH1MEN1
SCHEMBL22790783 0.86 ALDH1A1 (0.58) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL4555241 0.85 ALDH1A1 (0.60) ALDH1A1LMNAPLA2G2ASIGMAR1NPC1
SCHEMBL22793928 0.85 ALDH1A1 (0.57) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL11383273 0.84 ALDH1A1 (0.62) ALDH1A1LMNAPOLBHRH1MEN1
SCHEMBL1244038 0.84 CCR3 (0.72) LMNAPOLBSIGMAR1CCR3KDM4E

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
WO-2020251969-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed