SCHEMBL11427097

SCHEMBL11427097

CC(=O)CC(=O)N(C(=O)CC(C)=O)c1cc(C)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL7599236 0.85 HTT (0.44) KDM4EMEN1KMT2AHPGDTAS1R3
SCHEMBL4074003 0.83 SMN1; SMN2 (0.39) MEN1KMT2ALMNACYP1A2CYP2C9
SCHEMBL11434471 0.80 TDP1 (0.45) RAB9AKDM4EKMT2AHPGDLMNA
SCHEMBL7595407 0.74 TSHR (0.41) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL10947114 0.74 GAA (0.40) RAB9AKDM4EHPGDLMNACYP1A2
SCHEMBL17536308 0.73 HCRTR1 (0.38) HCRTR1HCRTR2RAB9AMEN1KMT2A
SCHEMBL19483171 0.73 FSCN1 (0.40) HCRTR1HCRTR2RAB9AKDM4EMEN1
SCHEMBL20708217 0.73 FSCN1 (0.56) HCRTR1HCRTR2RAB9AKDM4ETAS1R3
SCHEMBL9505366 0.70 ALDH1A1 (0.46) RAB9AMEN1KMT2AHPGDLMNA
Acetoacetic Acid SCHEMBL6970875 0.70 PTGS2 (0.41) RAB9AMEN1KMT2AHPGDPKM

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-4221709-A Azo pigments DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1980-09-09 — — US disclosed
US-4081439-A Aromatic disazo pigments CIBA-GEIGY CORPORATION (US) 1978-03-28 — — US disclosed
US-4055559-A ACETYLACETANILIDO CIBA-GEIGY CORPORATION (US) 1977-10-25 — — US disclosed
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