SCHEMBL20143792

SCHEMBL20143792

CCC(C)(CC)C(C(=O)O)C(C(=O)O)C(C)(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.36
ADRA1A P35348 2/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.33
FFAR3 O14843 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
HMGCR P04035 1/20 0.32
TBXA2R P21731 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
SCHEMBL20016449 0.93 CA2 (0.32) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL19872795 0.91 CA2 (0.31) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL3640221 0.78 CHRM1 (0.36) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL142216 0.78 CHRM1 (0.36) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL16682260 0.77
SCHEMBL19688578 0.76
SCHEMBL8277201 0.76 CPT2 (0.38) CHRM1ADRA1AAKR1A1CHRM3HTR2A
Ammonia Solution, Strong SCHEMBL10585168 0.76 TDP1 (0.35) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL28678611 0.74 CA2 (0.38) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL5288950 0.74 ALDH1A1 (0.52) CHRM1ADRA1AAKR1A1CHRM3HTR2A

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-10409179-B1 Electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2019-09-10 US disclosed
US-9968530-B2 Cleansing composition KAO CORPORATION (JP) 2018-05-15 US disclosed