SCHEMBL31380418

SCHEMBL31380418

O=C(O)COCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PAM P19021 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RORC P51449 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PTK2B Q14289 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL31380434 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11835979 0.97 ALDH1A1 (0.44) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL18641887 0.83 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL4474585 0.83 SMN1; SMN2 (0.60) TSHRALDH1A1SMN1; SMN2
SCHEMBL11842737 0.82 MEN1 (0.44) TSHRALDH1A1L3MBTL1RAB9A
SCHEMBL12918861 0.81 TSHR (0.45) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL17940865 0.81 SMN1; SMN2 (0.57) TSHRALDH1A1SMN1; SMN2
SCHEMBL10502279 0.79 PPARG (0.56) TSHRALDH1A1L3MBTL1SMN1; SMN2MAOB
SCHEMBL5555300 0.79 HTT (0.49) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL31380440 0.78 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8NCOR2

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-119707715-A [2- [2- (Dibenzylamino) ethoxy ] acetic acid ]13Process for the preparation of C 长沙贝塔医药科技有限公司 2025-03-28 CN claimed
CN-119707715-A [2- [2- (Dibenzylamino) ethoxy ] acetic acid ]13Process for the preparation of C 长沙贝塔医药科技有限公司 2025-03-28 CN disclosed
CN-119707715-A [2- [2- (Dibenzylamino) ethoxy ] acetic acid ]13Process for the preparation of C 长沙贝塔医药科技有限公司 2025-03-28 CN disclosed