SCHEMBL8835446

SCHEMBL8835446

CC=CC=CC1CCC(c2ccc(CCCCC)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 15/20 0.58
SPHK2 Q9NRA0 7/20 0.51
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
HSPD1 P10809 1/20 0.37
ADRB3 P13945 1/20 0.37
TACR2 P21452 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HSPE1 P61604 1/20 0.37

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
SCHEMBL8835444 1.00 SPHK1 (0.58) SPHK1SPHK2THRATHRBKDM4E
SCHEMBL8835356 0.97 SPHK1 (0.56) SPHK1SPHK2THRATHRBKDM4E
SCHEMBL8835353 0.97 SPHK1 (0.56) SPHK1SPHK2THRATHRBKDM4E
SCHEMBL8835313 0.90 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL8835314 0.90 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL9228247 0.88 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8835311 0.88 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8835308 0.88 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8835501 0.86 SPHK1 (0.58) SPHK1SPHK2THRATHRB
SCHEMBL8835499 0.86 SPHK1 (0.58) SPHK1SPHK2THRATHRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5662830-A Diene derivative CHISSO CORPORATION (JP) 1997-09-02 US disclosed
US-5609791-A Diene derivative CHISSO CORPORATION (JP) 1997-03-11 US disclosed
EP-0563982-B1 Polycyclic diene derivatives CHISSO CORP (JP) 1996-07-17 EP disclosed
US-5449810-A Diene derivative CHISSO CORPORATION (JP) 1995-09-12 US disclosed
EP-0563982-A2 Polycyclic diene derivatives Chisso Corporation (JP) 1993-10-06 EP disclosed