SCHEMBL11166115

SCHEMBL11166115

CCCCCCCc1ccc(C2(O)CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
ESR1 P03372 2/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SHBG P04278 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
HSPD1 P10809 1/20 0.51
ADRB3 P13945 1/20 0.51
HTR2C P28335 1/20 0.51
HSPE1 P61604 1/20 0.51
HIF1A Q16665 1/20 0.51
TST Q16762 1/20 0.51

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
SCHEMBL18911011 0.93 OPRL1 (0.57) BCHEESR1ADRA2AADORA3TACR2
SCHEMBL18910997 0.92 OPRL1 (0.58) BCHEESR1ADRA2AADORA3TACR2
SCHEMBL18910938 0.86 OPRL1 (0.55) BCHESLC6A2SLC6A4OPRL1LPL
SCHEMBL18910942 0.84 OPRL1 (0.56) BCHESLC6A2SLC6A4OPRL1LPL
SCHEMBL7532691 0.81 HTR2A (0.51) BCHEESR1ADRA2AADORA3TACR2
SCHEMBL18905306 0.80 HRH3 (0.42) BCHESLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL10233100 0.79 OPRL1 (0.53) BCHEESR1ALDH1A1LMNAOPRL1
SCHEMBL9798111 0.79 S1PR3 (0.55) ALDH1A1OPRL1S1PR1S1PR4S1PR3
SCHEMBL9797674 0.79 S1PR3 (0.55) ALDH1A1OPRL1S1PR1S1PR4S1PR3
SCHEMBL9798829 0.79 S1PR3 (0.55) ALDH1A1OPRL1S1PR1S1PR4S1PR3

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-4405488-A LOW VISCOSITY, HIGH TRANSPARENT POINT CHISSO CORPORATION (JP) 1983-09-20 US disclosed