SCHEMBL11200978

SCHEMBL11200978

CCCC(CCCCCCCCC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
CHRM1 P11229 1/20 0.64
AKR1A1 P14550 1/20 0.64
CHRM3 P20309 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
ADRA1A P35348 1/20 0.64
HRH1 P35367 1/20 0.64
DRD3 P35462 1/20 0.64
SLC6A3 Q01959 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC2 Q92769 1/20 0.64
ALDH1A1 P00352 3/20 0.61
FFAR4 Q5NUL3 2/20 0.58
FFAR1 O14842 2/20 0.58
FOLH1 Q04609 2/20 0.56
GPR84 Q9NQS5 7/20 0.56
PPARG P37231 7/20 0.56
PPARD Q03181 7/20 0.56
PPARA Q07869 7/20 0.56

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
SCHEMBL3862279 1.00 TDP1 (0.64) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3146559 1.00 TDP1 (0.64) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11508833 1.00 TDP1 (0.64) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3447478 1.00 TDP1 (0.64) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3446766 1.00 TDP1 (0.64) TDP1CHRM1AKR1A1CHRM3HTR2A
Ammonia Solution, Strong SCHEMBL28711791 0.98 TDP1 (0.61) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3141989 0.98 TDP1 (0.67) TDP1CHRM1AKR1A1CHRM3HTR2A
Arundic Acid SCHEMBL6943192 0.96 FFAR4 (0.65) TDP1CHRM1AKR1A1CHRM3HTR2A
Hexanoate SCHEMBL27984947 0.94 TDP1 (0.61) TDP1CHRM1AKR1A1CHRM3HTR2A
Myristic Acid SCHEMBL25309729 0.92 FFAR4 (0.69) TDP1ALDH1A1FFAR4FFAR1FOLH1

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
EP-0073838-A1 COPOLYMERIZED POLYAMIDE RESIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1983-03-16 EP disclosed