SCHEMBL5013146

SCHEMBL5013146

C=CCC(CC1CCCCC1)C(=O)O.CC[C@@H](C(=O)O)N(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
NPY5R Q15761 1/20 0.37
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
FFAR2 O15552 1/20 0.35
PKM P14618 1/20 0.35
USP19 O94966 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
REN P00797 2/20 0.34
CTSD P07339 2/20 0.34

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
SCHEMBL19817274 0.77 GRIK1 (0.46) ATMMMP2MMP9MMP12CPA1
SCHEMBL432458 0.77 GRIK1 (0.46) ATMMMP2MMP9MMP12CPA1
SCHEMBL430659 0.75 ALDH1A1 (0.46) MEN1ALDH1A1POLBKMT2ACYP2C19
SCHEMBL430660 0.75 ALDH1A1 (0.46) MEN1ALDH1A1POLBKMT2ACYP2C19
SCHEMBL7767037 0.73 EPHX2 (0.45) ATMNPY5RMMP2MMP9MMP12
SCHEMBL17785166 0.68 PIN1 (0.42) MEN1ALDH1A1POLBKMT2ACYP2C19
SCHEMBL2484332 0.68 ATM (0.50) ATMALDH1A1KMT2ALTA4H
SCHEMBL13711847 0.68 ATM (0.50) ATMALDH1A1KMT2ALTA4H
SCHEMBL13711848 0.68 ATM (0.50) ATMALDH1A1KMT2ALTA4H
SCHEMBL16859601 0.68 LTA4H (0.35) ATMMMP2CPA1LTA4HCTSS

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
EP-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed