SCHEMBL8409668

SCHEMBL8409668

CC(COc1ccc(CN)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
MAOB P27338 4/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
CNR1 P21554 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL8413209 0.87 TAAR1 (0.47) MAOBTDP1PMP22ITGB3ITGA2B
SCHEMBL27876843 0.84 MAPK1 (0.50) FFAR1MAOBKEAP1NFE2L2TDP1
SCHEMBL3717529 0.84 LOXL2 (0.51) MAOBKEAP1NFE2L2LMNATDP1
Acetic Acid SCHEMBL3075493 0.83 ACACB (0.51) MAOBKDM4EMTNR1AMTNR1B
SCHEMBL787523 0.83 TDP1 (0.49) FFAR1MAOBLMNATDP1KDM4E
SCHEMBL28083583 0.81 SLC6A2 (0.50) LMNAADRB2ADRB1ADRA1ACYP1A2
SCHEMBL28255815 0.81 SLC6A2 (0.50) LMNAADRB2ADRB1ADRA1ACYP1A2
SCHEMBL14273066 0.81 L3MBTL1 (0.53) MAOBLMNACYP1A2CYP3A4TSHR
SCHEMBL11006473 0.81 SLC6A2 (0.50) LMNAADRB2ADRB1ADRA1ACYP1A2
SCHEMBL5228349 0.81 ITGB3 (0.53) FFAR1MAOBKEAP1NFE2L2LMNA

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
US-5927283-A TREATING DISEASES INVOLVING OXYGEN DEFICIENCY, IN WOUND HEALING, AND IN RESTORING OXYGEN AFFINITY OF STORED BLOOD. VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-07-27 US disclosed
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 US disclosed
US-5731454-A Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-03-24 US disclosed
US-5705521-A Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-01-06 US disclosed
US-5677330-A THERAPY HYPOXIA, HYPOTHERMIA, ISCHEMIC, WOUNDS, ULCERS, TISSUE TRANSPLANTS, SESPIS THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-10-14 US disclosed