SCHEMBL9720050

SCHEMBL9720050

c1cc2c(cc1CCc1ccc3c(c1)CCCC3)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
RXRB P28702 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CETP P11597 1/20 0.41
STS P08842 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
RXRA P19793 1/20 0.40
RXRG P48443 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL9711010 0.92 DRD2 (0.39) RXRBCETP
SCHEMBL8184437 0.89 DRD2 (0.50) TSHRLMNANPC1RAB9A
SCHEMBL3453086 0.86 HPGD (0.40) TSHRRXRBADRA2AADRA2BADRA2C
SCHEMBL17186185 0.86 TAAR1 (0.47) ADRA2AADRA2BADRA2CALOX15HSD17B10
SCHEMBL8853672 0.86 ALDH1A1 (0.48) TSHRRXRBADRA2AADRA2BADRA2C
SCHEMBL30496730 0.86 TAAR1 (0.47) ADRA2AADRA2BADRA2CALOX15HSD17B10
Hydrochloric Acid SCHEMBL5157753 0.84 TDP1 (0.48) ADRA2AADRA2BADRA2CALOX15HSD17B10
SCHEMBL5079011 0.84 TAAR1 (0.45) RXRBADRA2AADRA2BADRA2CALOX15
SCHEMBL19158886 0.84 NPC1 (0.45) RXRBADRA2AADRA2BADRA2CCETP
SCHEMBL3452332 0.84 RXRB (0.41) TSHRRXRBCETPALDH1A1HPGD

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-5081099-A A tetrahydronaphthalene sensitizer as antifogging agent; storage stability ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1992-01-14 US disclosed