SCHEMBL28065470

SCHEMBL28065470

CC(C)NC(C)C.OP(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
TACR1 P25103 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 1/20 0.36
ATM Q13315 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL51153 0.84 TSHR (0.52) ALDH1A1TSHRLMNAMAPK1KMT2A
SCHEMBL15021274 0.82 TSHR (0.50) ALDH1A1TSHRLMNAMAPK1KMT2A
SCHEMBL28006880 0.82 TSHR (0.50) ALDH1A1TSHRLMNAMAPK1KMT2A
Hydrochloric Acid SCHEMBL27474797 0.82 TSHR (0.50) ALDH1A1TSHRLMNAMAPK1KMT2A
SCHEMBL7334884 0.80 TSHR (0.41) LTA4HALDH1A1TSHRHPGDLMNA
SCHEMBL7344971 0.79 TSHR (0.43) ALDH1A1TSHRLMNAMAPK1KMT2A
SCHEMBL28027281 0.79 TSHR (0.36) ALDH1A1TSHRTACR1LMNAIDO1
SCHEMBL673603 0.77 TSHR (0.44) ALDH1A1TSHRHPGDLMNAMAPK1
SCHEMBL10325280 0.76 SIGMAR1 (0.38) TSHRKMT2ANPC1RAB9AIDO1
SCHEMBL26947534 0.76 IDO1 (0.45) LTA4HALDH1A1TSHRLMNAMAPK1

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-108752380-B Water-soluble derivatives and prodrugs of acacetin and methods of making and using same 港大科桥有限公司 2021-02-26 CN disclosed
CN-105566392-A Bacterial protein synthesis inhibitor preparation method CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD 2016-05-11 CN disclosed