SCHEMBL4075330

SCHEMBL4075330

CCCCCC1(CC(=O)O)CCC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.35
OXER1 Q8TDS5 3/20 0.34
AKR1B1 P15121 1/20 0.33
PRKCA P17252 2/20 0.33
CDC25A P30304 6/20 0.33
CDC25B P30305 6/20 0.33
CDC25C P30307 5/20 0.33
SCD O00767 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL17669647 0.87 AKR1B1 (0.38) AKR1B1PRKCASCDALDH1A1TSHR
SCHEMBL23533422 0.78 GPR84 (0.45) OXER1AKR1B1ALDH1A1TSHRSLC22A6
SCHEMBL11838734 0.78 GPR84 (0.45) OXER1AKR1B1ALDH1A1TSHRSLC22A6
SCHEMBL11829345 0.78 GPR84 (0.45) OXER1AKR1B1ALDH1A1TSHRSLC22A6
SCHEMBL9360186 0.77 SIRT2 (0.40) SIRT2
SCHEMBL244829 0.76 TSHR (0.50) AKR1B1ALDH1A1TSHRSLC22A6SLC22A8
SCHEMBL20073868 0.76 SIRT2 (0.42) SIRT2
SCHEMBL8733702 0.75 TSHR (0.48) ALDH1A1TSHRSLC22A6SLC22A8GPR84
SCHEMBL8736846 0.75 TSHR (0.53) OXER1AKR1B1ALDH1A1TSHRSLC22A6
SCHEMBL23533471 0.75 TSHR (0.44) OXER1ALDH1A1TSHRSLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524485-B2 Skin lightening agents, compositions and methods UNILEVER HOME & PERSONAL CARE, USA, DIVISION OF CONOPCO, INC. (US) 2009-04-28 US disclosed
US-6875425-B2 Skin lightening agents, compositions and methods UNILEVER HOME & PERSONAL CARE USA (US) 2005-04-05 US disclosed
US-5726345-A Process for perfuming textiles FIRMENICH S.A. (CH) 1998-03-10 US disclosed
US-5649979-A LAUNDERING IN PRESENCE OF ESTER COMPOUND WHICH RELEASES FRAGRANT ALCOHOL, ALDEHYDE OR KETONE FIRMENICH S.A. (CH) 1997-07-22 US disclosed