SCHEMBL29209643

SCHEMBL29209643

O=C(CC1(c2ccccc2)CCCO1)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 3/20 0.34
AKR1C1 Q04828 1/20 0.34
HDAC4 P56524 2/20 0.34
NPC1 O15118 2/20 0.33
KCNA3 P22001 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL29209581 0.80 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2L3MBTL1RAB9A
SCHEMBL30881602 0.80 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2L3MBTL1RAB9A
SCHEMBL29209632 0.77 KMT2A (0.45) LMNAALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL29209553 0.77 DRD2 (0.44) ALDH1A1RAB9A
SCHEMBL29209628 0.77 MAPT (0.43) ALDH1A1HPGDL3MBTL1RAB9ANPC1
SCHEMBL435686 0.77 TSHR (0.48) LMNASMN1; SMN2TSHRL3MBTL1AKR1C1
SCHEMBL29209551 0.74 RAB9A (0.43) LMNAALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL29209641 0.74 CTNNB1 (0.43) LMNAALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL29209627 0.74 L3MBTL1 (0.48) ALDH1A1L3MBTL1RAB9AHDAC4NPC1
SCHEMBL29209647 0.74 KMT2A (0.44) LMNAALDH1A1HPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026967-A Acylated epoxy derivative and preparation method thereof 安徽师范大学 2024-05-14 CN disclosed