SCHEMBL7941656

SCHEMBL7941656

CCC#CN(c1ccccc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
LMNA P02545 4/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.37
GLA P06280 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ESR1 P03372 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL27853702 0.75 ALDH1A1 (0.38) ALDH1A1TP53TSHRGLAKDM4E
SCHEMBL6156404 0.71 ALDH1A1 (0.40) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL3239379 0.71 ALDH1A1 (0.40) ALDH1A1LMNATP53SMN1; SMN2GLA
SCHEMBL3241706 0.71 ESR1 (0.46) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL19565725 0.71 ALDH1A1 (0.40) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL8754925 0.67 ALDH1A1 (0.51) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL11704619 0.65 TSHR (0.48) ALDH1A1TP53TSHRGLAKDM4E
SCHEMBL2398343 0.64 TAAR1 (0.47) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL6399613 0.63 ALDH1A1 (0.44) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL20831313 0.63 NPSR1 (0.47) ALDH1A1LMNAKDM4EMAPTKMT2A

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-6242002-B1 RAPIDLY DISINTEGRATING ORAL DOSAGE FORM OF ALKALI-SENSITIVE MATERIAL, EFFERVESCENT BASE OF ALKALINE EARTH METAL CARBONATE, ORGANIC EDIBLE ACID AND ALKALI METAL SALT OF CITRIC ACID, AUXILIARY INGREDIENTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-06-05 US disclosed