Tridecane

Tridecane

SCHEMBL8036309

CCCCCCCCCCCCC.c1ccc2c(c1)sc1ccccc12

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.64
FAAH O00519 1/20 0.50
MGLL Q99685 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
PTPN1 P18031 1/20 0.45
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40

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
Dibenzothiophene SCHEMBL27916373 1.00 GPR3 (0.64) GPR3FAAHMGLLSMN1; SMN2MAPK1
Hexadecane SCHEMBL27488634 1.00 GPR3 (0.64) GPR3FAAHMGLLSMN1; SMN2MAPK1
Dibenzothiophene SCHEMBL27524283 1.00 GPR3 (0.64) GPR3FAAHMGLLSMN1; SMN2MAPK1
Anthracene SCHEMBL6245135 0.90 GPR3 (0.52) GPR3FAAHMGLLSMN1; SMN2MAPK1
Dibenzothiophene SCHEMBL232234 0.88 GPR3 (0.74) GPR3SMN1; SMN2MAPK1RAB9AALDH1A1
Dibenzothiophene SCHEMBL8388551 0.85 GPR3 (0.78) GPR3SMN1; SMN2MAPK1RAB9AALDH1A1
SCHEMBL3165636 0.83 GPR3 (0.44) GPR3FAAHMGLLSMN1; SMN2MAPK1
SCHEMBL9299449 0.83 LIPG (0.46) GPR3FAAHMGLLPTPN1CNR2
SCHEMBL22345133 0.83 RORA (0.48) GPR3ALDH1A1KDM4ELMNA
SCHEMBL3727803 0.83 LIPG (0.46) GPR3FAAHMGLLPTPN1CNR2

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-6086832-A RAW MATERIAL FEEDING; REACTING; RECOVERING IDEMITSU KOSAN CO., LTD. (JP) 2000-07-11 US disclosed