SCHEMBL27554304

SCHEMBL27554304

CCCCc1c(C)c(C)c(Cc2ccc(O)cc2)c(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 1/20 0.53
TST Q16762 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL3480423 0.86 ESR1 (0.62) ESR1ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL1121520 0.82 ESR1 (0.62) ESR1ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL21972226 0.81 TYR (0.47) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1840610 0.80 ESR1 (0.73) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL30168838 0.80 ESR1 (0.54) ESR1SLC6A2ACHEESR2NPC1
SCHEMBL11108899 0.79 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL20233 0.78 ESR1 (0.83) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL21632769 0.76 ESR1 (0.79) ESR1ADRA2AADORA3TACR2SLC6A2
Butane SCHEMBL11811032 0.76 ESR1 (0.79) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL28796641 0.76 PTGS2 (0.87) ESR1ADRA2AADORA3TACR2SLC6A2

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
CN-1182115-C 4-Formylamino-N-methylpiperidine derivatives, their use as stabilizers and the resulting stabilized organic substances 巴斯福股份公司 2004-12-29 CN disclosed
CN-1420871-A 4-formyl amino-N- methylpiperidine derivs., use thereof as stabilisers and organic material stabilised therewith BASF AG (DE) 2003-05-28 CN disclosed