SCHEMBL27840928

SCHEMBL27840928

CC(C)(C)OC(=O)NCC1C[CH]CCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.45
DRD2 P14416 2/20 0.43
EPHX1 P07099 1/20 0.43
ACACA Q13085 4/20 0.41
KMT2A Q03164 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PBK Q96KB5 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL3381120 0.88 ACACB (0.50) ACACBDRD2EPHX1ACACAKMT2A
SCHEMBL6451989 0.84 DRD2 (0.49) ACACBDRD2EPHX1ACACAKMT2A
SCHEMBL10209101 0.82 EPHX1 (0.54) ACACBDRD2EPHX1ACACAKMT2A
SCHEMBL228180 0.82 EPHX1 (0.50) ACACBDRD2EPHX1ACACAKMT2A
SCHEMBL881033 0.81 ACACB (0.50) ACACBDRD2EPHX1ACACAKMT2A
SCHEMBL60318 0.81 EPHX1 (0.56) ACACBDRD2EPHX1ACACAKMT2A
SCHEMBL508535 0.81 ACACB (0.46) ACACBDRD2EPHX1ACACAKMT2A
SCHEMBL6647123 0.80 EPHX1 (0.48) ACACBDRD2EPHX1ACACAKMT2A
SCHEMBL3942686 0.79 KMT2A (0.56) ACACBDRD2EPHX1ACACAKMT2A
SCHEMBL3816616 0.79 KMT2A (0.56) ACACBDRD2EPHX1ACACAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104262267-B9 PGI2 receptor modulators for the treatment of prostacyclin (PGI2) receptor-related disorders 艾尼纳制药公司 2019-04-12 CN disclosed
CN-104262267-A Modulators Of The Prostacyclin (pgi2) Receptor Useful For The Treatment Of Disorders Related Thereto ARENA PHARM INC 2015-01-07 CN disclosed
CN-102036659-B PGI2 receptor modulators for the treatment of prostacyclin receptor-related disorders ARENA PHARM INC 2014-09-17 CN disclosed
CN-103483226-A Modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARM INC 2014-01-01 CN disclosed
CN-102036659-A PGI2 receptor modulators for the treatment of prostacyclin receptor-related disorders ARENA PHARM INC 2011-04-27 CN disclosed