SCHEMBL28529991

SCHEMBL28529991

CC(=O)C(C)CNCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.54
▸ ERAP2 Q6P179 1/20 0.54
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ TSHR P16473 2/20 0.50
▸ ADRB3 P13945 5/20 0.49
▸ ADRB2 P07550 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HTT P42858 1/20 0.47

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
SCHEMBL7431068 0.83 SMN1; SMN2 (0.53) ANPEPERAP2KMT2AMEN1ADRB3
SCHEMBL13484773 0.82 KMT2A (0.53) ANPEPKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL13416723 0.80 ALDH1A1 (0.56) ANPEPERAP2ADRB2HPGDCYP2C19
Hydrochloric Acid SCHEMBL6891239 0.79 ALDH1A1 (0.56) ANPEPERAP2KMT2AMEN1ADRB2
Hydrochloric Acid SCHEMBL6891236 0.79 ALDH1A1 (0.56) ANPEPERAP2KMT2AMEN1ADRB2
SCHEMBL13971409 0.78 TSHR (0.66) KMT2AMEN1TSHRSMN1; SMN2HPGD
SCHEMBL27734943 0.78 SIGMAR1 (0.53) ANPEPERAP2TSHRADRB2SMN1; SMN2
SCHEMBL6178883 0.78 TSHR (0.66) KMT2AMEN1TSHRSMN1; SMN2HPGD
SCHEMBL16743937 0.78 TSHR (0.66) KMT2AMEN1TSHRSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL27523801 0.78 KMT2A (0.55) KMT2AHPGDCYP2D6CYP2C9CYP2C19

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
CN-112533972-B Polyurethane compositions with low levels of monomeric diisocyanates SIKA技术股份公司 2023-05-23 — — CN disclosed
CN-109563111-B Method for stabilizing imino-functional silanes 莫门蒂夫性能材料股份有限公司 2022-04-12 — — CN disclosed
CN-112533972-A Polyurethane compositions with low content of monomeric diisocyanates SIKA技术股份公司 2021-03-19 — — CN disclosed
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