SCHEMBL7782155

SCHEMBL7782155

CCCCC(CC)Oc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.49
NR5A1 Q13285 1/20 0.49
ESR1 P03372 6/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH2 P05091 1/20 0.39
ADORA3 P0DMS8 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
ADRA2A P08913 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A4 P31645 2/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL7782167 0.95 NR5A1 (0.51) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL14745891 0.93 LTA4H (0.52) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL27474720 0.88 NR5A1 (0.56) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL7784172 0.86 NR5A1 (0.58) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL7777459 0.86 NR5A1 (0.58) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL7785543 0.86 NR5A1 (0.58) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL7785538 0.86 NR5A1 (0.58) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL1357032 0.85 SLC2A1 (0.41) LTA4HNR5A1PRKCAPRKCD
SCHEMBL7785556 0.85 LTA4H (0.47) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL12856847 0.84 PTGES (0.40) LMNASMN1; SMN2ALDH1A1ACHEMAPT

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-0873881-B1 Reversible thermochromic compositions PILOT INK CO LTD (JP) 2001-10-17 EP disclosed
US-5919404-A MIXTURE OF COLOR DEVELOPING COMPOUND AND ELECTRON ACCEPTORALKOXYPHENOL COMPOUND THE PILOT INK CO., LTD. (JP) 1999-07-06 US disclosed
EP-0873881-A1 Reversible thermochromic compositions The Pilot Ink CO., Ltd. (JP) 1998-10-28 EP disclosed