SCHEMBL29040646

SCHEMBL29040646

C=CCN(CC=C)CCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31

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
SCHEMBL127488 0.85 TSHR (0.38) ALDH1A1TDP1TSHRKDM4EKMT2A
SCHEMBL5485335 0.84 ALDH1A1 (0.41) ALDH1A1TDP1TSHRKDM4EKMT2A
Hydrochloric Acid SCHEMBL9501246 0.82 OPRK1 (0.36) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL27095801 0.82 KMT2A (0.35) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL6528243 0.82 OPRK1 (0.38) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL11396038 0.79 DNM1 (0.52) ALDH1A1TSHR
SCHEMBL28550794 0.79 TDP1 (0.48) ALDH1A1TDP1TSHRKDM4EKMT2A
SCHEMBL7753868 0.78 KMT2A (0.48) ALDH1A1TDP1TSHRKDM4EKMT2A
SCHEMBL14844783 0.78 CA12 (0.53) CA12CA2CA3CA4CA6
SCHEMBL213816 0.74 TSHR (0.38) ALDH1A1TDP1TSHRKDM4EKMT2A

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
CN-118201526-A Package for dispensing a dual phase cosmetic composition 宝洁公司 2024-06-14 CN disclosed
CN-116322607-A Heating conditioner 宝洁公司 2023-06-23 CN disclosed