SCHEMBL28816052

SCHEMBL28816052

Fc1cc(Br)c(COC2CCCCO2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
KDM4C Q9H3R0 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
IDO1 P14902 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
CREBBP Q92793 2/20 0.31
DPP4 P27487 1/20 0.31
LMNA P02545 1/20 0.30
EP300 Q09472 1/20 0.30

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
SCHEMBL31615004 0.93 L3MBTL1 (0.38) L3MBTL1KDM4CMEN1KMT2AIDO1
SCHEMBL31614850 0.93 L3MBTL1 (0.38) L3MBTL1KDM4CMEN1KMT2AIDO1
SCHEMBL31614864 0.93 L3MBTL1 (0.38) L3MBTL1KDM4CMEN1KMT2AIDO1
SCHEMBL16861105 0.93 L3MBTL1 (0.38) L3MBTL1KDM4CMEN1KMT2AIDO1
SCHEMBL566227 0.88 L3MBTL1 (0.35) L3MBTL1KDM4CMEN1KMT2AIDO1
SCHEMBL23287046 0.84 L3MBTL1 (0.36) L3MBTL1KDM4CMEN1KMT2AIDO1
SCHEMBL10214559 0.83 L3MBTL1 (0.47) L3MBTL1KDM4CMEN1KMT2AIDO1
SCHEMBL2284090 0.83 L3MBTL1 (0.47) L3MBTL1KDM4CMEN1KMT2AIDO1
SCHEMBL14087193 0.82 KDM4C (0.38) L3MBTL1KDM4CMEN1KMT2ANPC1
SCHEMBL20512500 0.81 L3MBTL1 (0.36) L3MBTL1KDM4CMEN1KMT2AIDO1

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-114621135-B LPA1 small molecule antagonist 上海拓界生物医药科技有限公司 2024-01-30 CN disclosed
CN-114621135-A LPA1 small molecule antagonist 上海拓界生物医药科技有限公司 2022-06-14 CN disclosed