SCHEMBL9727478

SCHEMBL9727478

COC(=O)C1CCCN1C(=O)Cc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.43
PEPD P12955 1/20 0.43
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42
CCR1 P32246 2/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
DPP4 P27487 3/20 0.41
PDK2 Q15119 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OPRK1 P41145 1/20 0.40
FKBP1A P62942 1/20 0.40
PKM P14618 1/20 0.39
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL9727467 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNARAB9ADPP4
SCHEMBL9537325 0.86 ACE (0.43) RHOCRHOACCR1LMNADPP4
SCHEMBL9727534 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2FKBP1A
SCHEMBL9535638 0.83 TACR1 (0.39) SMN1; SMN2RHOCRHOACCR1MAPT
SCHEMBL9727517 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2DPP4MAPTTDP1
SCHEMBL9727211 0.81 KDM4E (0.51) ALDH1A1SMN1; SMN2MAPTTDP1FKBP1A
SCHEMBL9727327 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNARAB9ADPP4
SCHEMBL9727501 0.78 KMT2A (0.58) ALDH1A1SMN1; SMN2RAB9AMAPTTDP1
SCHEMBL9727472 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2PEPDLMNARAB9A
SCHEMBL9727314 0.76 DPP4 (0.49) ALDH1A1SMN1; SMN2LMNARAB9ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142065-A Intermediates for herbicides, fungicides, miticides and insecticides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed