SCHEMBL8978804

SCHEMBL8978804

CCCCCc1ccc(C#CC(C)(C)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
ESR1 P03372 2/20 0.49
ADRA2A P08913 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
TACR2 P21452 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
SHBG P04278 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
HSPD1 P10809 1/20 0.49
ADRB3 P13945 1/20 0.49
HTR2C P28335 1/20 0.49
HSPE1 P61604 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL8978928 0.95 PTGES2 (0.45) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL8978722 0.88 PTGES2 (0.47) TSHRALDH1A1LMNALPLLIPG
SCHEMBL8433963 0.82 HSD17B10 (0.61) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9328232 0.82 HSD17B10 (0.61) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL13849645 0.80 CYP2A6 (0.47) TSHRALDH1A1LMNALPLLIPG
SCHEMBL9327044 0.80 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9330328 0.80 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9329731 0.80 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9327020 0.80 HSD17B10 (0.59) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9330316 0.80 HSD17B10 (0.65) HSD17B10TSHRESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581272-B1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORP (JP) 1996-05-08 EP disclosed
US-5356558-A Compatibility, high speed response SEIKO EPSON CORPORATION (JP) 1994-10-18 US disclosed
EP-0581272-A1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORPORATION (JP) 1994-02-02 EP disclosed