SCHEMBL28166370

SCHEMBL28166370

N#CCC(=O)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SRD5A2 P31213 5/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
NR4A1 P22736 1/20 0.40
APEX1 P27695 1/20 0.40
APOBEC3A P31941 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 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
SCHEMBL1529438 0.82 MCL1 (0.55) ALDH1A1TSHRCES2CES1KMT2A
SCHEMBL28165994 0.82 ALDH1A1 (0.44) ALDH1A1TP53TSHRCES2CES1
SCHEMBL16746887 0.80 LMNA (0.58) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL28458644 0.79 L3MBTL1 (0.50) ALDH1A1CES2CES1KMT2AMEN1
SCHEMBL710924 0.79 NPC1 (0.44) ALDH1A1CES2CES1KMT2AMEN1
SCHEMBL5845746 0.76 SRD5A2 (0.63) ALDH1A1TP53TSHRSRD5A2CES2
SCHEMBL211305 0.76 ALDH1A1 (0.54) ALDH1A1TP53TSHRSRD5A2KMT2A
SCHEMBL16125623 0.76 ALDH1A1 (0.54) ALDH1A1TP53TSHRSRD5A2KMT2A
SCHEMBL14918493 0.76 TSHR (0.52) ALDH1A1TP53TSHRSRD5A2CES2
SCHEMBL10520154 0.76 CYP19A1 (0.42) ALDH1A1GAAMAPTSMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107024834-B Compound and coloring composition 住友化学株式会社 2021-11-23 CN disclosed
CN-107586469-B Pigment composition, coloring composition, and coloring curable composition 住友化学株式会社 2021-04-06 CN disclosed
CN-107586469-A Color compositions, coloured composition and cured composition for color 住友化学株式会社 2018-01-16 CN disclosed
CN-107024834-A Compound and coloured composition 住友化学株式会社 2017-08-08 CN disclosed