Isopropylamine

Isopropylamine

SCHEMBL11566190

CC(C)N.O=C(O)CCC(=O)c1ccc2c(c1)SCc1ccccc1C2=O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.57
▸ MAPK14 Q16539 1/20 0.44
▸ CTNNB1 P35222 4/20 0.42
▸ WNT3A P56704 4/20 0.42
▸ CYP1A2 P05177 2/20 0.38
▸ USP5 P45974 1/20 0.38
▸ NR4A2 P43354 1/20 0.37
▸ TTR P02766 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL11562156 0.93 AKR1B1 (0.65) AKR1B1MAPK14CTNNB1WNT3ACYP1A2
SCHEMBL11567084 0.83 AKR1B1 (0.54) AKR1B1MAPK14CTNNB1WNT3ARAB9A
SCHEMBL11567137 0.82 AKR1B1 (0.56) AKR1B1MAPK14CTNNB1WNT3ATTR
SCHEMBL11565536 0.82 AKR1B1 (0.56) AKR1B1MAPK14CTNNB1WNT3ATTR
SCHEMBL11564660 0.82 AKR1B1 (0.56) AKR1B1MAPK14CTNNB1WNT3ATTR
Potassium Ion SCHEMBL11567753 0.82 AKR1B1 (0.56) AKR1B1MAPK14CTNNB1WNT3ATTR
SCHEMBL11659979 0.82 AKR1B1 (0.56) AKR1B1MAPK14CTNNB1WNT3ATTR
Tiopinac SCHEMBL11569336 0.81 AKR1B1 (0.86) AKR1B1MAPK14
SCHEMBL11567792 0.81 AKR1B1 (0.52) AKR1B1MAPK14CTNNB1WNT3A
SCHEMBL11566285 0.81 ALDH1A1 (0.55) AKR1B1CTNNB1WNT3ACYP1A2

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
EP-0003422-A1 Novel 4-(8X-6,11-dihydrodibenzo-(b,e)-thiepin-11-one-3-yl)-4-oxobutyric acids, methods of preparation, compositions and uses thereof SYNTEX (U.S.A.) INC. (US) 1979-08-08 — — EP disclosed
US-4130654-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, FRIBRINOLYTIC, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1978-12-19 — — US disclosed
Send feedback