SCHEMBL3486781

SCHEMBL3486781

O=C(O)[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.41
KCNA3 P22001 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
SLC22A1 O15245 1/20 0.40
NR1I2 O75469 1/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
TRPM2 O94759 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
NR3C1 P04150 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.40
CYP17A1 P05093 1/20 0.40

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
SCHEMBL4629178 0.86 ALDH1A1 (0.48) SMN1; SMN2CYP2C19ALDH1A1LMNACYP1A2
SCHEMBL4629180 0.86 ALDH1A1 (0.48) SMN1; SMN2CYP2C19ALDH1A1LMNACYP1A2
SCHEMBL18040347 0.82 ALDH1A1 (0.43) SMN1; SMN2CYP2C19ALDH1A1CHRM2CHRM4
SCHEMBL17923185 0.82 ALDH1A1 (0.43) SMN1; SMN2CYP2C19ALDH1A1CHRM2CHRM4
Acetic Acid SCHEMBL1572531 0.79 LMNA (0.37) KCNN4KCNA3SMN1; SMN2RAB9ACYP2C19
SCHEMBL5688778 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNACHRM2CHRM4
SCHEMBL5688777 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNACHRM2CHRM4
SCHEMBL5688772 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNACHRM2CHRM4
SCHEMBL1572532 0.77 CHRNB2 (0.42) SMN1; SMN2CYP2C19ALDH1A1MEN1SLC22A1
SCHEMBL1802808 0.75 ELANE (0.42) SMN1; SMN2ALDH1A1LMNACHRM2CHRM1

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
US-20100035822-A1 PROLINE-RICH PEPTIDES, PHARMACEUTICAL COMPOSITION, USE OF ONE OR MORE PEPTIDES AND METHOD OF TREATMENT PEP FARMA CONSULTORIA E DESENVOLVIMENTO FARMACEUTI (BR) 2010-02-11 US disclosed