SCHEMBL7876478

SCHEMBL7876478

Oc1ccc(CCCc2ccc(C(c3ccc(O)cc3)(c3ccc(O)cc3)C3CCCCC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
SLC28A3 Q9HAS3 1/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 1/20 0.41
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSPD1 P10809 1/20 0.40
ADRB3 P13945 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
SCHEMBL7799173 0.86 KMT2A (0.40) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL12913094 0.80 KEAP1 (0.47) ESR1ESR2ALDH1A1CYP3A4CHRM2
SCHEMBL7808091 0.78 ESR1 (0.57) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7808092 0.77 ESR1 (0.59) ESR1ESR2SLC6A2
SCHEMBL27416354 0.76 ALDH1A1 (0.49) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL2776653 0.75 MMP3 (0.50) ESR1ESR2RAB9AALDH1A1LMNA
SCHEMBL386638 0.72 MAOB (0.55) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL1171041 0.72 ESR1 (0.77) CALM1SLC28A3ESR1ESR2ADRA2A
SCHEMBL245139 0.72 ESR1 (0.77) CALM1SLC28A3ESR1ESR2ADRA2A
SCHEMBL11039100 0.71 KMT2A (0.40) ESR1ESR2SLC6A2SLC6A4SLC6A3

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-6316170-B2 COATING, EXPOSURE, DEVELOPMENT AND HEAT TREATMENT KABUSHIKI KAISHA TOSHIBA (JP) 2001-11-13 US disclosed