SCHEMBL9476152

SCHEMBL9476152

CCCCOc1ccc(C(C)(C)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.59
LTA4H P09960 4/20 0.53
NR5A1 Q13285 1/20 0.53
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL24533728 0.90 HRH3 (0.61) HRH3NR5A1CYP3A4SMN1; SMN2GAA
SCHEMBL25575420 0.88 HRH3 (0.52) HRH3LTA4HNR5A1ALDH1A1
SCHEMBL18910998 0.85 ALDH1A1 (0.63) HRH3LTA4HNR5A1ALDH1A1CYP3A4
SCHEMBL21483751 0.85 HRH3 (0.56) HRH3ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL18905500 0.85 HRH3 (0.56) HRH3ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL19687568 0.84 SMN1; SMN2 (0.66) HRH3ALDH1A1CYP3A4SMN1; SMN2GAA
SCHEMBL24533712 0.84 HRH3 (0.55) HRH3ALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL11547049 0.83 NQO1 (0.61) HRH3LTA4HALDH1A1TSHRSMN1; SMN2
SCHEMBL4738149 0.83 SMN1; SMN2 (0.58) LTA4HNR5A1ALDH1A1CYP3A4TSHR
SCHEMBL9593021 0.83 HRH3 (0.57) HRH3LTA4HNR5A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0292699-A2 Urea based lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-11-30 EP disclosed